Molecule

ID:7472

General Information
Structure
Molecular Formula
C₆H₄ClFO
Molecular Mass
146.5467632
Exact Mass
145.99347065
Charge
0
InChI
InChI=1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChIKey
ZQXLIXHVJVAPLW-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)Cl)F
Isomeric Smiles
Oc1cc(c(cc1)F)Cl
Calculated Properties
JChem
Acid pKa
8.5919285
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4160779
LogD (pH = 7.4)
2.3895416
Log P
2.4164271
Molar Refractivity
33.0601
Polarizability
12.602161
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
References
Bioactivity
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