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3DMET: B00122
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| Entry |
B00122 |
| Name |
Nitric oxide; NO; Nitrogen monoxide |
| Formula |
NO |
| Weight |
29.998 |
| Canonical SMILES |
[NH2]#[O+] |
| InChI |
1/HNO/c1-2/h1H/q+1 |
| CASRN® |
10102-43-9 |
| COMPOUND |
C00533 |
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2D and 3D structures/descriptors
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| 2D Structure |
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| 3D structure (visualized by Jmol) |
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2D descriptors
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3D descriptors
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| Formal charge |
1
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| Weight |
30.006
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| LogP(o/w) |
-0.08
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| SlogP |
-0.10372
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| LogS |
0.41378
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| SMR |
0.24115
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| TPSA (A2) |
23.79
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| Number of rings |
0
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| Number of atoms |
2
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| Chiral atoms |
0
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| H-bond acceptor |
2
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| H-bond donor |
0
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| Acidic atoms |
0
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| Basic atoms |
1
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| Aromatic atoms |
0
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| Heavy atoms |
2
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| Number of bonds |
1
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| Single bonds |
0
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| Rotatable single bonds |
0
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| Double bonds |
0
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| Triple bonds |
1
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| Aromatic bonds |
0
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| Volume (A3) |
24
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| ASA (A2) |
135.464
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| VSA (A2) |
43.0632
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| Density |
1.29225
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| Diameter |
1
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| Dipole (debye) |
0
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| Globularity |
0
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| Potential energy (kcal/mol) |
22.9231
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| angle bend energy |
14.48
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| electrostatic energy |
0
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| non-bond energy |
0
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| out-of-plane energy |
0
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| solvation energy |
-98.9725
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| bond stretch-bend energy |
0
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| torsion energy |
0
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| Van del Waals energy |
0
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Three-dimensionalizing operation
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| converted by |
CONCORD standalone
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| confirmed by |
canonical SMILES
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| status |
Undefined chiral atoms
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