Molecule

ID:7130

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClFO
Molecular Mass
160.5733432
Exact Mass
160.00912071
Charge
0
InChI
InChI=1S/C7H6ClFO/c1-4-2-3-5(8)7(10)6(4)9/h2-3,10H,1H3
InChIKey
HCZRPIVKIPIGDM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1O)F)C
Isomeric Smiles
c1cc(c(c(c1Cl)O)F)C
Calculated Properties
JChem
Acid pKa
7.15437
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9204097
LogD (pH = 7.4)
2.4952893
Log P
2.9298484
Molar Refractivity
38.1013
Polarizability
14.33736
Polar Surface Area
20.23
Rotatable Bonds
0
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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