Molecule
ID:26125
General Information
Molecular Formula
C₁₄H₉ClO₃
Molecular Mass
260.67246
Exact Mass
260.02402183
Charge
0
InChI
InChI=1S/C14H9ClO3/c15-12-5-3-11(4-6-12)14(17)18-13-7-1-10(9-16)2-8-13/h1-9H
InChIKey
KQSDBATZVOQQQY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OC(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(Oc1ccc(C=O)cc1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9512281
LogD (pH = 7.4)
3.9512281
Log P
3.9512281
Molar Refractivity
69.2497
Polarizability
26.25671
Polar Surface Area
43.37
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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