3DMET: B00156

Universal description

 
Entry B00156
Name Nitrogen; N2
Formula N2
Weight 28.0061
Canonical SMILES N#N
InChI 1/N2/c1-2
CASRN® 7727-37-9
COMPOUND C00697
 

2D and 3D-structures/descriptors

 
2D-Structure

3D-structure (visualized by jV)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 28.014
LogP(o/w) -0.398
SlogP 0.03016
LogS 0.26798
SMR 0.345
TPSA (A2) 47.58
Number of rings 0
Number of atoms 2
   Chiral atoms 0
   H-bond acceptor 2
   H-bond donor 0
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 2
Number of bonds 1
   Single bonds 0
   Rotatable single bonds 0
   Double bonds 0
   Triple bonds 1
   Aromatic bonds 0
Volume (A3) 23.125
ASA (A2) 130.525
VSA (A2) 40.9146
Density 1.21142
Diameter 1
Dipole (debye) 0
Globularity 0
Potential energy (kcal/mol) 0.175741
   angle bend energy 0
   electrostatic energy 0
   non-bond energy 0
   out-of-plane energy 0
   solvation energy -0.761093
   bond stretch-bend energy 0
   torsion energy 0
   Van del Waals energy 0

Three-dimensionalizing operation

converted by CONCORD standalone
confirmed by InChI
status Completely same chiraliry