3DMET: B01184

Universal description

 
Entry B01184
Name Hydroxylamine
Formula NH3O
Weight 33.0215
Canonical SMILES NO
InChI 1/H3NO/c1-2/h2H,1H2
CASRN® 7803-49-8
COMPOUND C00192
 

2D and 3D structures/descriptors

 
2D Structure

3D structure (visualized by Jmol)
 

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) 152.415
VSA (A2) 53.051
Density 1.101
Diameter 1
Dipole (debye) 0
Globularity 0.0543083
Potential energy (kcal/mol) 16.6635
   angle bend energy 5.46809
   electrostatic energy 9.8285
   non-bond energy 9.78584
   out-of-plane energy 0
   solvation energy -8.46699
   bond stretch-bend energy -2.19383
   torsion energy -2.98205
   Van del Waals energy -0.0426607

Three-dimensionalizing operation

converted by CONCORD standalone
confirmed by InChI
status Completely same chiraliry