3DMET: B00004

Universal description

 
Entry B00004
Name NH3; Ammonia
Formula NH3
Weight 17.0265
Canonical SMILES [NH4+]
InChI 1/H3N/h1H3/p+1
CASRN® 7664-41-7
COMPOUND C00014
 

2D and 3D structures/descriptors

 
2D Structure

3D structure (visualized by Jmol)
 

2D descriptors

3D descriptors

Formal charge 1
Weight 18.039
LogP(o/w) -0.062
SlogP -1.0932
LogS 0.35386
SMR 0.38508
TPSA (A2) 0
Number of rings 0
Number of atoms 5
   Chiral atoms 0
   H-bond acceptor 0
   H-bond donor 0
   Acidic atoms 0
   Basic atoms 1
   Aromatic atoms 0
    Heavy atoms 1
Number of bonds 4
   Single bonds 4
   Rotatable single bonds 0
   Double bonds 0
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 23.625
ASA (A2) 135.456
VSA (A2) 42.7483
Density 0.720889
Diameter 0
Dipole (debye) 0
Globularity 0.0623769
Potential energy (kcal/mol) 3.4653
   angle bend energy 0.108185
   electrostatic energy 0
   non-bond energy 0
   out-of-plane energy 0
   solvation energy -88.3293
   bond stretch-bend energy 0.115623
   torsion energy 0
   Van del Waals energy 0

Three-dimensionalizing operation

converted by CONCORD standalone
confirmed by InChI
status Completely same chiraliry