Molecule
ID:66121
General Information
Molecular Formula
C₉H₉ClF₂
Molecular Mass
190.6175664
Exact Mass
190.03608441
Charge
0
InChI
InChI=1S/C9H9ClF2/c1-2-9(11,12)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey
YRLHCMMLGDPHEF-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cccc(c1)Cl)(F)F
Isomeric Smiles
c1(cc(ccc1)C(CC)(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8513143
LogD (pH = 7.4)
3.8513143
Log P
3.8513143
Molar Refractivity
45.4374
Polarizability
17.190989
Polar Surface Area
0.0
Rotatable Bonds
2
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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