Molecule

ID:61320

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClO₃
Molecular Mass
272.68316
Exact Mass
272.02402183
Charge
0
InChI
InChI=1S/C15H9ClO3/c16-10-3-1-9(2-4-10)7-14-15(18)12-6-5-11(17)8-13(12)19-14/h1-8,17H/b14-7-
InChIKey
BDTDMWIIDULIHT-AUWJEWJLSA-N
Canonic Smiles
Clc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)O
Isomeric Smiles
C\1(=C\c2ccc(Cl)cc2)/C(=O)c2c(O1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
7.652429
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4997287
LogD (pH = 7.4)
3.3115695
Log P
3.5027537
Molar Refractivity
73.832
Polarizability
27.745024
Polar Surface Area
46.53
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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