Molecule

ID:52335

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClO
Molecular Mass
142.58288
Exact Mass
142.01854252
Charge
0
InChI
InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3
InChIKey
YPNZJHFXFVLXSE-UHFFFAOYSA-N
Canonic Smiles
Oc1c(C)cccc1Cl
Isomeric Smiles
c1(c(cccc1C)Cl)O
Calculated Properties
JChem
Acid pKa
8.344213
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7865293
LogD (pH = 7.4)
2.7406938
Log P
2.7871466
Molar Refractivity
37.8849
Polarizability
14.584947
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
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References
Bioactivity
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