Molecule
ID:66065
General Information
Molecular Formula
C₈H₇ClF₂
Molecular Mass
176.5909864
Exact Mass
176.02043434
Charge
0
InChI
InChI=1S/C8H7ClF2/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey
LLPMBOMUBJJHSV-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)Cl)(F)F
Isomeric Smiles
c1(ccc(cc1)C(C)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2144413
LogD (pH = 7.4)
3.2144413
Log P
3.2144413
Molar Refractivity
40.9686
Polarizability
15.375802
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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