Molecule

ID:87642

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClO₂
Molecular Mass
158.58228
Exact Mass
158.01345714
Charge
0
InChI
InChI=1S/C7H7ClO2/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
InChIKey
KULSVCANYQIOFD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)O)Cl
Isomeric Smiles
Oc1c(ccc(c1)OC)Cl
Calculated Properties
JChem
Acid pKa
7.8902416
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1143022
LogD (pH = 7.4)
1.9953797
Log P
2.1160538
Molar Refractivity
39.3069
Polarizability
15.362518
Polar Surface Area
29.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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