3DMET: B00354

Universal description

 
Entry B00354
Name Hyponitrite; Hyponitrous acid
Formula N2H2O2
Weight 62.0116
Canonical SMILES ONNO
InChI 1/H4N2O2/c3-1-2-4/h1-4H
CASRN® 14448-38-5
COMPOUND C01818
 

2D and 3D structures/descriptors

 
2D Structure

3D structure (visualized by Jmol)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 64.044
LogP(o/w) -0.916
SlogP -1.141
LogS 0.74276
SMR 1.1529
TPSA (A2) 64.52
Number of rings 0
Number of atoms 8
   Chiral atoms 0
   H-bond acceptor 4
   H-bond donor 4
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 4
Number of bonds 7
   Single bonds 7
   Rotatable single bonds 1
   Double bonds 0
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 43.625
ASA (A2) 189.548
VSA (A2) 72.0185
Density 1.42185
Diameter 3
Dipole (debye) 0
Globularity 0
Potential energy (kcal/mol) 13.0341
   angle bend energy 14.9831
   electrostatic energy -2.46107
   non-bond energy -2.55483
   out-of-plane energy 0
   solvation energy -10.1262
   bond stretch-bend energy -3.0517
   torsion energy -1.16829e-07
   Van del Waals energy -0.0937574

Three-dimensionalizing operation

converted by CONCORD standalone
confirmed by InChI
status Completely same chiraliry