Molecule

ID:7983

General Information
Structure
Molecular Formula
C₇H₇ClO
Molecular Mass
142.58288
Exact Mass
142.01854252
Charge
0
InChI
InChI=1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey
MBYQPPXEXWRMQC-UHFFFAOYSA-N
Canonic Smiles
OCc1ccccc1Cl
Isomeric Smiles
c1ccc(c(c1)CO)Cl
Calculated Properties
JChem
Acid pKa
14.740109
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8099407
LogD (pH = 7.4)
1.8099407
Log P
1.8099407
Molar Refractivity
37.6787
Polarizability
14.654252
Polar Surface Area
20.23
Rotatable Bonds
1
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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