Molecule

ID:105474

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClN₂O₂
Molecular Mass
146.53182
Exact Mass
145.98830503
Charge
0
InChI
InChI=1S/C4H3ClN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
InChIKey
ZFTBZKVVGZNMJR-UHFFFAOYSA-N
Canonic Smiles
Clc1c[nH]c(=O)[nH]c1=O
Isomeric Smiles
Clc1c[nH]c(=O)[nH]c1=O
Calculated Properties
JChem
Acid pKa
7.0719957
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.20585513
LogD (pH = 7.4)
-0.67938334
Log P
-0.19450535
Molar Refractivity
30.7606
Polarizability
11.630982
Polar Surface Area
58.2
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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