Molecule

ID:84950

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c1-14-10(15)7-9(12)11(13-14)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
JLEPXRQIVMKNTH-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(=O)n(nc1c1ccccc1)C
Isomeric Smiles
n1c(c2ccccc2)c(cc(=O)n1C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2443442
LogD (pH = 7.4)
2.2443442
Log P
2.2443442
Molar Refractivity
60.3914
Polarizability
22.333387
Polar Surface Area
32.67
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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