Molecule

ID:87390

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂O₄
Molecular Mass
216.5786
Exact Mass
215.99378433
Charge
0
InChI
InChI=1S/C7H5ClN2O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3
InChIKey
BRPREIDVQXJOJH-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(cnc1Cl)C(=O)OC
Isomeric Smiles
Clc1c(cc(cn1)C(=O)OC)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.5232564
LogD (pH = 7.4)
1.5232564
Log P
1.5232564
Molar Refractivity
48.113
Polarizability
17.95846
Polar Surface Area
82.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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