Molecule

ID:118303

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O
Molecular Mass
194.61768
Exact Mass
194.02469053
Charge
0
InChI
InChI=1S/C9H7ClN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-4H,5H2,(H,11,12,13)
InChIKey
KSLWZHWJFFDMMK-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc2ccccc2c(=O)[nH]1
Isomeric Smiles
c1(=O)[nH]c(nc2c1cccc2)CCl
Calculated Properties
JChem
Acid pKa
9.64791
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3103011
LogD (pH = 7.4)
1.30867
Log P
1.3107843
Molar Refractivity
52.1431
Polarizability
18.684961
Polar Surface Area
41.46
Rotatable Bonds
1
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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