Molecule

ID:44219

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClO₂
Molecular Mass
258.69964
Exact Mass
258.04475727
Charge
0
InChI
InChI=1S/C15H11ClO2/c16-14-4-2-1-3-11(14)7-10-15(18)12-5-8-13(17)9-6-12/h1-10,17H/b10-7+
InChIKey
GTSKIPKSVPFFLB-JXMROGBWSA-N
Canonic Smiles
Oc1ccc(cc1)C(=O)/C=C/c1ccccc1Cl
Isomeric Smiles
C(=C\c1c(Cl)cccc1)/C(=O)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
7.8730288
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1889806
LogD (pH = 7.4)
4.065791
Log P
4.1908045
Molar Refractivity
73.6627
Polarizability
27.798273
Polar Surface Area
37.3
Rotatable Bonds
3
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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