3DMET: B01184

Universal description

 
Entry B01184
Name hydroxylamine; NH2OH
Formula H3NO
Weight 33.0294
Canonical SMILES NO
InChI 1/H3NO/c1-2/h2H,1H2
KEGG C00192
 

2D and 3D-structures/descriptors

 
2D-Structure

3D-structure (visualized by JSmol)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 33.03
LogP(o/w) -1.179
SlogP -0.6657
LogS 0.52608
SMR 0.68162
TPSA (A2) 46.25
Number of rings 0
Number of atoms 5
   Chiral atoms 0
   H-bond acceptor 2
   H-bond donor 2
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 2
Number of bonds 4
   Single bonds 4
   Rotatable single bonds 0
   Double bonds 0
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 30
ASA (A2) 153.108
VSA (A2) 52.7586
Density 1.101
Diameter 1
Dipole (debye) 0.0836688
Globularity 0.0810377
Potential energy (kcal/mol) 8.0298
   angle bend energy 0.139032
   electrostatic energy 10.6512
   non-bond energy 10.609
   out-of-plane energy 0
   solvation energy -7.56721
   bond stretch-bend energy 0.0143816
   torsion energy -2.76132
   Van del Waals energy -0.0421477