Molecule

ID:97125

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₃
Molecular Mass
172.1470896
Exact Mass
172.04998488
Charge
0
InChI
InChI=1S/C9H7F3/c1-2-7-4-3-5-8(6-7)9(10,11)12/h2-6H,1H2
InChIKey
ARHOUOIHKWELMD-UHFFFAOYSA-N
Canonic Smiles
C=Cc1cccc(c1)C(F)(F)F
Isomeric Smiles
FC(c1cccc(c1)C=C)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5877964
LogD (pH = 7.4)
3.5877964
Log P
3.5877964
Molar Refractivity
41.718
Polarizability
14.886502
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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