Molecule

ID:9001

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂FO
Molecular Mass
207.0291032
Exact Mass
205.97014836
Charge
0
InChI
InChI=1S/C8H5Cl2FO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-3H,1H3
InChIKey
FAKJFAMIABOKBW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc(F)c(cc1Cl)Cl
Isomeric Smiles
c1(c(cc(c(c1)Cl)C(=O)C)F)Cl
Calculated Properties
JChem
Acid pKa
15.374257
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8816845
LogD (pH = 7.4)
2.8816845
Log P
2.8816845
Molar Refractivity
46.2868
Polarizability
17.670563
Polar Surface Area
17.07
Rotatable Bonds
1
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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