Molecule
ID:120678
General Information
Molecular Formula
C₁₁H₉ClO₂
Molecular Mass
208.64096
Exact Mass
208.02910721
Charge
0
InChI
InChI=1S/C11H9ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6,13H,7H2
InChIKey
PMHZVTQIEAIJBK-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(o1)c1ccc(cc1)Cl
Isomeric Smiles
c1(oc(cc1)CO)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
13.773897
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.437414
LogD (pH = 7.4)
2.4374137
Log P
2.437414
Molar Refractivity
55.0833
Polarizability
22.460176
Polar Surface Area
33.37
Rotatable Bonds
2
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
No Data Available
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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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