Molecule

ID:80643

General Information
Structure
Molecular Formula
C₁₂H₉ClO₂
Molecular Mass
220.65166
Exact Mass
220.02910721
Charge
0
InChI
InChI=1S/C12H9ClO2/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
UJABSZITRMATFL-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(oc1C)c1ccccc1
Isomeric Smiles
o1c(c(cc1c1ccccc1)C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0711918
LogD (pH = 7.4)
3.0711918
Log P
3.0711918
Molar Refractivity
59.8495
Polarizability
23.653736
Polar Surface Area
30.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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