Molecule

ID:92036

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClO
Molecular Mass
142.58288
Exact Mass
142.01854252
Charge
0
InChI
InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChIKey
CFKMVGJGLGKFKI-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)C)Cl
Isomeric Smiles
Oc1cc(c(cc1)Cl)C
Calculated Properties
JChem
Acid pKa
9.084607
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7870343
LogD (pH = 7.4)
2.7783132
Log P
2.7871466
Molar Refractivity
37.8849
Polarizability
14.558121
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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