3DMET: B00022

Universal description

 
Entry B00022
Name Nitrite
Formula HNO2
Weight 47.0007
Canonical SMILES ON=O
InChI 1/HNO2/c2-1-3/h(H,2,3)
COMPOUND C00088
 

2D and 3D structures/descriptors

 
2D Structure

3D structure (visualized by Jmol)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 47.013
LogP(o/w) -0.03
SlogP 0.142
LogS 0.26159
SMR 0.84238
TPSA (A2) 49.66
Number of rings 0
Number of atoms 4
   Chiral atoms 0
   H-bond acceptor 3
   H-bond donor 1
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 3
Number of bonds 3
   Single bonds 2
   Rotatable single bonds 0
   Double bonds 1
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 30.5
ASA (A2) 153.677
VSA (A2) 53.3337
Density 1.54141
Diameter 2
Dipole (debye) 0
Globularity 0
Potential energy (kcal/mol) 11.2519
   angle bend energy 1.14174
   electrostatic energy -1.70457
   non-bond energy -1.71274
   out-of-plane energy 0
   solvation energy -5.16516
   bond stretch-bend energy 0.713261
   torsion energy -3.24545e-09
   Van del Waals energy -0.00817531

Three-dimensionalizing operation

converted by CONCORD standalone
confirmed by InChI
status Completely same chiraliry