Molecule

ID:32144

General Information
Structure
Molecular Formula
C₉H₇F₅
Molecular Mass
210.143896
Exact Mass
210.04679132
Charge
0
InChI
InChI=1S/C9H7F5/c1-6-2-4-7(5-3-6)8(10,11)9(12,13)14/h2-5H,1H3
InChIKey
GNYDVGCKILRJRP-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(c1ccc(cc1)C)F
Isomeric Smiles
c1cc(ccc1C)C(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0651584
LogD (pH = 7.4)
4.0651584
Log P
4.0651584
Molar Refractivity
41.7409
Polarizability
14.8660145
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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