Molecule

ID:32140

General Information
Structure
MolImage
Molecular Formula
C₉H₇F₅
Molecular Mass
210.143896
Exact Mass
210.04679132
Charge
0
InChI
InChI=1S/C9H7F5/c1-2-9(13,14)5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3
InChIKey
BTFFABVUUDOIBO-UHFFFAOYSA-N
Canonic Smiles
CCC(c1cc(F)c(c(c1)F)F)(F)F
Isomeric Smiles
FC(F)(c1cc(c(F)c(F)c1)F)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6753755
LogD (pH = 7.4)
3.6753755
Log P
3.6753755
Molar Refractivity
41.2818
Polarizability
14.832656
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
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References
Bioactivity
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