Molecule

ID:84410

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClNO₄
Molecular Mass
175.52668
Exact Mass
174.96723523
Charge
0
InChI
InChI=1S/C5H2ClNO4/c6-5(8)3-1-2-4(11-3)7(9)10/h1-2H
InChIKey
OLEFNFXYGGTROA-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc(o1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(o1)C(=O)Cl)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2536802
LogD (pH = 7.4)
1.2536802
Log P
1.2536802
Molar Refractivity
35.1374
Polarizability
13.210186
Polar Surface Area
73.35
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation