Molecule

ID:84065

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClO₂
Molecular Mass
258.69964
Exact Mass
258.04475727
Charge
0
InChI
InChI=1S/C15H11ClO2/c16-14-4-2-1-3-13(14)15(18)10-7-11-5-8-12(17)9-6-11/h1-10,17H
InChIKey
FDGQCKIOOCJPLO-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)/C=C/C(=O)c1ccccc1Cl
Isomeric Smiles
O=C(c1c(cccc1)Cl)/C=C/c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
9.035149
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1906786
LogD (pH = 7.4)
4.1809177
Log P
4.1908045
Molar Refractivity
73.6627
Polarizability
27.80935
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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