Molecule
ID:32146
General Information
Molecular Formula
C₉H₇F₃
Molecular Mass
172.1470896
Exact Mass
172.04998488
Charge
0
InChI
InChI=1S/C9H7F3/c10-7-1-2-8-6(5-7)3-4-9(8,11)12/h1-2,5H,3-4H2
InChIKey
SIYIKVIUISXNQF-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)CCC2(F)F
Isomeric Smiles
FC1(F)c2c(CC1)cc(F)cc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9950984
LogD (pH = 7.4)
2.9950984
Log P
2.9950984
Molar Refractivity
39.487
Polarizability
14.281796
Polar Surface Area
0.0
Rotatable Bonds
0
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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