Molecule

ID:7528

General Information
Structure
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Molecular Formula
C₇H₇ClO
Molecular Mass
142.58288
Exact Mass
142.01854252
Charge
0
InChI
InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
InChIKey
VQZRLBWPEHFGCD-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)Cl)C
Isomeric Smiles
c1c(c(cc(c1)O)Cl)C
Calculated Properties
JChem
Acid pKa
9.209662
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7870624
LogD (pH = 7.4)
2.7805054
Log P
2.7871466
Molar Refractivity
37.8849
Polarizability
14.566798
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
No Data Available
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Molecule Details
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References
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Bioactivity
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