Molecule

ID:7157

General Information
Structure
Molecular Formula
C₇H₃Cl₂FO
Molecular Mass
193.0025232
Exact Mass
191.9544983
Charge
0
InChI
InChI=1S/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H
InChIKey
VWGAATKTEAKOCO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)Cl)F
Isomeric Smiles
c1(ccc(c(c1)C(=O)Cl)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.910905
LogD (pH = 7.4)
2.910905
Log P
2.910905
Molar Refractivity
42.1939
Polarizability
15.807929
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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