Molecule

ID:67331

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClFO
Molecular Mass
146.5467632
Exact Mass
145.99347065
Charge
0
InChI
InChI=1S/C6H4ClFO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey
OYEGPBZYKCARCW-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)O)F
Isomeric Smiles
c1(c(ccc(c1)Cl)F)O
Calculated Properties
JChem
Acid pKa
7.693289
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4136753
LogD (pH = 7.4)
2.2395084
Log P
2.4164271
Molar Refractivity
33.0601
Polarizability
12.573908
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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