3DMET: B00122

Universal description

 
Entry B00122
Name Nitric oxide; NO; Nitrogen monoxide
Formula NO
Weight 29.998
Canonical SMILES [N]=O
InChI 1/NO/c1-2
CASRN® 10102-43-9
COMPOUND C00533
 

2D and 3D-structures/descriptors

 
2D-Structure

3D-structure (visualized by jV)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 31.014
LogP(o/w) 0.294
SlogP 0.33157
LogS -0.12395
SMR 0.60867
TPSA (A2) 40.92
Number of rings 0
Number of atoms 3
   Chiral atoms 0
   H-bond acceptor 2
   H-bond donor 1
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 2
Number of bonds 2
   Single bonds 1
   Rotatable single bonds 0
   Double bonds 1
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 24
ASA (A2) 135.464
VSA (A2) 43.0632
Density 1.29225
Diameter 1
Dipole (debye) 0.614164
Globularity 0
Potential energy (kcal/mol) 0.991982
   angle bend energy 3.38192e-06
   electrostatic energy 0
   non-bond energy 0
   out-of-plane energy 0
   solvation energy -6.27766
   bond stretch-bend energy 2.42038e-05
   torsion energy 0
   Van del Waals energy 0

Three-dimensionalizing operation

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