Molecule

ID:37861

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClO₂
Molecular Mass
260.71552
Exact Mass
260.06040734
Charge
0
InChI
InChI=1S/C15H13ClO2/c16-13-8-6-12(7-9-13)14(10-15(17)18)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,17,18)
InChIKey
CQGBVRBAVJLFOM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccccc1)c1ccc(cc1)Cl
Isomeric Smiles
c1c(ccc(c1)C(c1ccccc1)CC(=O)O)Cl
Calculated Properties
JChem
Acid pKa
4.335222
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8887792
LogD (pH = 7.4)
1.1433585
Log P
4.0804305
Molar Refractivity
71.415
Polarizability
27.812788
Polar Surface Area
37.3
Rotatable Bonds
4
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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