3DMET: B00068

Universal description

 
Entry B00068
Name Nitrate; Nitric acid
Formula HNO3
Weight 62.9956
Canonical SMILES O[N+](=O)[OH-]
InChI 1/H2NO3/c2-1(3)4/h2H,(H,3,4)
CASRN® 7697-37-2
COMPOUND C00244
 

2D and 3D structures/descriptors

 
2D Structure

3D structure (visualized by Jmol)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 63.012
LogP(o/w) -0.114
SlogP -0.3477
LogS -0.0717
SMR 0.96232
TPSA (A2) 66.05
Number of rings 0
Number of atoms 5
   Chiral atoms 0
   H-bond acceptor 1
   H-bond donor 1
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 4
Number of bonds 4
   Single bonds 3
   Rotatable single bonds 0
   Double bonds 1
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 35.625
ASA (A2) 168.282
VSA (A2) 61.7198
Density 1.76876
Diameter 2
Dipole (debye) 0
Globularity 0
Potential energy (kcal/mol) 20.4998
   angle bend energy 11.3454
   electrostatic energy -19.6927
   non-bond energy -19.7171
   out-of-plane energy 0
   solvation energy -23.3465
   bond stretch-bend energy -4.35865
   torsion energy -7.10543e-15
   Van del Waals energy -0.0243721

Three-dimensionalizing operation

converted by CONCORD standalone
confirmed by InChI
status Completely same chiraliry