Molecule

ID:75375

General Information
Structure
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Molecular Formula
C₁₀H₇ClO
Molecular Mass
178.61498
Exact Mass
178.01854252
Charge
0
InChI
InChI=1S/C10H7ClO/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,12H
InChIKey
LVSPDZAGCBEQAV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c2c1cccc2)O
Isomeric Smiles
Oc1c2ccccc2c(cc1)Cl
Calculated Properties
JChem
Acid pKa
8.607161
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2628648
LogD (pH = 7.4)
3.2372231
Log P
3.263202
Molar Refractivity
49.2939
Polarizability
20.319906
Polar Surface Area
20.23
Rotatable Bonds
0
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
No Data Available
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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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