3DMET: B00068

Universal description

 
Entry B00068
Name nitrate; nitric acid
Formula HNO3
Weight 63.0116
Canonical SMILES O[N+](=O)[O-]
InChI 1/HNO3/c2-1(3)4/h(H,2,3,4)
KEGG C00244
 

2D and 3D-structures/descriptors

 
2D-Structure

3D-structure (visualized by JSmol)
 

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) 35.75
ASA (A2) 166.626
VSA (A2) 61.1547
Density 1.76257
Diameter 2
Dipole (debye) 0.669485
Globularity 1.10974e-08
Potential energy (kcal/mol) -17.2609
   angle bend energy 1.69946
   electrostatic energy -19.2925
   non-bond energy -19.1173
   out-of-plane energy 1.29664e-05
   solvation energy -7.38834
   bond stretch-bend energy -0.0509243
   torsion energy 1.22966e-06
   Van del Waals energy 0.175106