Molecule

ID:56310

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁ClO₂
Molecular Mass
246.68894
Exact Mass
246.04475727
Charge
0
InChI
InChI=1S/C14H11ClO2/c15-14(16)10-17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
HORIELQEHOGTBN-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)COc1ccc(cc1)c1ccccc1
Isomeric Smiles
C(=O)(COc1ccc(c2ccccc2)cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4741127
LogD (pH = 7.4)
3.4741127
Log P
3.4741127
Molar Refractivity
67.6005
Polarizability
27.56388
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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