Molecule

ID:56901

General Information
Structure
Molecular Formula
C₁₅H₁₃ClO₂
Molecular Mass
260.71552
Exact Mass
260.06040734
Charge
0
InChI
InChI=1S/C15H13ClO2/c1-11-5-7-12(8-6-11)10-18-14-4-2-3-13(9-14)15(16)17/h2-9H,10H2,1H3
InChIKey
MYZFENYWGQQYBS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)COc1cccc(c1)C(=O)Cl
Isomeric Smiles
c1(cc(ccc1)C(=O)Cl)OCc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2443814
LogD (pH = 7.4)
4.2443814
Log P
4.2443814
Molar Refractivity
73.2897
Polarizability
27.938765
Polar Surface Area
26.3
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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