Molecule
ID:53976
General Information
Molecular Formula
C₁₂H₁₁ClO
Molecular Mass
206.66814
Exact Mass
206.04984265
Charge
0
InChI
InChI=1S/C12H11ClO/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
InChIKey
KPDOEBVFJJPTGL-UHFFFAOYSA-N
Canonic Smiles
ClC1=CC(=O)CC(C1)c1ccccc1
Isomeric Smiles
c1cccc(c1)C1CC(=CC(=O)C1)Cl
Calculated Properties
JChem
Acid pKa
17.24438
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9876964
LogD (pH = 7.4)
2.9876964
Log P
2.9876964
Molar Refractivity
58.8545
Polarizability
22.302639
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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