Molecule

ID:10087

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClN₂O₂
Molecular Mass
146.53182
Exact Mass
145.98830503
Charge
0
InChI
InChI=1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
InChIKey
PKUFNWPSFCOSLU-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(=O)[nH]c(=O)[nH]1
Isomeric Smiles
[nH]1c(=O)[nH]c(=O)cc1Cl
Calculated Properties
JChem
Acid pKa
7.747433
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.18840155
LogD (pH = 7.4)
-0.3449292
Log P
-0.18597978
Molar Refractivity
40.8195
Polarizability
11.625988
Polar Surface Area
58.2
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...