Molecule

ID:26001

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClO₂
Molecular Mass
260.71552
Exact Mass
260.06040734
Charge
0
InChI
InChI=1S/C15H13ClO2/c1-11-4-2-3-5-12(11)10-18-15-7-6-14(16)8-13(15)9-17/h2-9H,10H2,1H3
InChIKey
HEZCTUXZGJRYLS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Cl)ccc1OCc1ccccc1C
Isomeric Smiles
c1(c(OCc2c(C)cccc2)ccc(c1)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.370016
LogD (pH = 7.4)
4.370016
Log P
4.370016
Molar Refractivity
73.5638
Polarizability
27.951817
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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