Molecule

ID:120382

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₂
Molecular Mass
221.63972
Exact Mass
221.02435618
Charge
0
InChI
InChI=1S/C11H8ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-6H,1H3
InChIKey
TZQOMBXDCIPJKW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc(c(n2)Cl)C=O
Isomeric Smiles
n1c(c(cc2c1ccc(c2)OC)C=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5099528
LogD (pH = 7.4)
2.5099535
Log P
2.5099535
Molar Refractivity
58.8926
Polarizability
23.29081
Polar Surface Area
39.19
Rotatable Bonds
2
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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