Molecule

ID:89651

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClO₂
Molecular Mass
244.67306
Exact Mass
244.02910721
Charge
0
InChI
InChI=1S/C14H9ClO2/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H
InChIKey
JYRSCMLJPXJTLI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1c2ccccc2Oc2c1cccc2
Isomeric Smiles
O1c2c(cccc2)C(c2ccccc12)C(=O)Cl
Calculated Properties
JChem
Acid pKa
13.790199
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3481553
LogD (pH = 7.4)
3.3481553
Log P
3.3481553
Molar Refractivity
66.0764
Polarizability
25.528269
Polar Surface Area
26.3
Rotatable Bonds
1
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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