3DMET: B00022

Universal description

 
Entry B00022
Name nitrite
Formula HNO2
Weight 47.0126
Canonical SMILES ON=O
InChI 1/HNO2/c2-1-3/h(H,2,3)
KEGG C00088
 

2D and 3D-structures/descriptors

 
2D-Structure

3D-structure (visualized by JSmol)
 

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) 30.75
ASA (A2) 149.704
VSA (A2) 51.7881
Density 1.52888
Diameter 2
Dipole (debye) 0.450843
Globularity 1.09859e-07
Potential energy (kcal/mol) -3.60004
   angle bend energy 0.076125
   electrostatic energy -3.7342
   non-bond energy -3.68003
   out-of-plane energy 0
   solvation energy -2.23994
   bond stretch-bend energy 0.00249527
   torsion energy 1.33883e-05
   Van del Waals energy 0.0541641