3DMET: B00354

Universal description

 
Entry B00354
Name hyponitrite; hyponitrous acid
Formula H2N2O2
Weight 62.0272
Canonical SMILES ON=NO
InChI 1/H2N2O2/c3-1-2-4/h(H,1,4)(H,2,3)
KEGG C01818
 

2D and 3D-structures/descriptors

 
2D-Structure

3D-structure (visualized by JSmol)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 62.028
LogP(o/w) -3.476
SlogP 0.217
LogS 0.92914
SMR 1.01136
TPSA (A2) 65.18
Number of rings 0
Number of atoms 6
   Chiral atoms 0
   H-bond acceptor 4
   H-bond donor 2
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 4
Number of bonds 5
   Single bonds 4
   Rotatable single bonds 0
   Double bonds 1
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 43.875
ASA (A2) 180.482
VSA (A2) 68.9138
Density 1.41374
Diameter 3
Dipole (debye) 0.0016
Globularity 4.07625e-07
Potential energy (kcal/mol) -3.6319
   angle bend energy 0.0207171
   electrostatic energy -3.61058
   non-bond energy -3.65663
   out-of-plane energy 0
   solvation energy -6.56791
   bond stretch-bend energy 0.0021892
   torsion energy 3.25575e-05
   Van del Waals energy -0.0460525