3DMET: B00122

Universal description

 
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
 

2D and 3D structures/descriptors

 
2D Structure

3D structure (visualized by Jmol)
 

2D descriptors

3D descriptors

Formal charge 1
Weight 30.006
LogP(o/w) -0.08
SlogP -0.10372
LogS 0.41378
SMR 0.24115
TPSA (A2) 23.79
Number of rings 0
Number of atoms 2
   Chiral atoms 0
   H-bond acceptor 2
   H-bond donor 0
   Acidic atoms 0
   Basic atoms 1
   Aromatic atoms 0
    Heavy atoms 2
Number of bonds 1
   Single bonds 0
   Rotatable single bonds 0
   Double bonds 0
   Triple bonds 1
   Aromatic bonds 0
Volume (A3) 24
ASA (A2) 135.464
VSA (A2) 43.0632
Density 1.29225
Diameter 1
Dipole (debye) 0
Globularity 0
Potential energy (kcal/mol) 22.9231
   angle bend energy 14.48
   electrostatic energy 0
   non-bond energy 0
   out-of-plane energy 0
   solvation energy -98.9725
   bond stretch-bend energy 0
   torsion energy 0
   Van del Waals energy 0

Three-dimensionalizing operation

converted by CONCORD standalone
confirmed by canonical SMILES
status Undefined chiral atoms