Molecule
ID:66088
General Information
Molecular Formula
C₈H₇ClF₂
Molecular Mass
176.5909864
Exact Mass
176.02043434
Charge
0
InChI
InChI=1S/C8H7ClF2/c9-6-8(10,11)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
RANLLZYBLOAACB-UHFFFAOYSA-N
Canonic Smiles
ClCC(c1ccccc1)(F)F
Isomeric Smiles
c1(ccccc1)C(CCl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2611306
LogD (pH = 7.4)
3.2611306
Log P
3.2611306
Molar Refractivity
40.5929
Polarizability
15.336322
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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