Molecule
ID:8110
General Information
Molecular Formula
C₇H₈ClF₃
Molecular Mass
184.5866296
Exact Mass
184.0266626
Charge
0
InChI
InChI=1S/C7H8ClF3/c1-3-5(2)4-6(9,10)7(5,8)11/h3H,1,4H2,2H3
InChIKey
GNDCVAZGIZYWFY-UHFFFAOYSA-N
Canonic Smiles
C=CC1(C)CC(C1(F)Cl)(F)F
Isomeric Smiles
C1(CC(C1(F)Cl)(F)F)(C)C=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0668879
LogD (pH = 7.4)
3.0668879
Log P
3.0668879
Molar Refractivity
37.3897
Polarizability
13.974963
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
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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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