Molecule

ID:10434

General Information
Structure
MolImage
Molecular Formula
C₅H₈F₃N
Molecular Mass
139.1189296
Exact Mass
139.06088392
Charge
0
InChI
InChI=1S/C5H8F3N/c6-5(7,8)4-2-1-3-9-4/h4,9H,1-3H2
InChIKey
VINAMCOZNJHNIH-UHFFFAOYSA-N
Canonic Smiles
FC(C1CCCN1)(F)F
Isomeric Smiles
N1C(CCC1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.3908279
LogD (pH = 7.4)
1.1967195
Log P
1.2277822
Molar Refractivity
27.3547
Polarizability
10.227822
Polar Surface Area
12.03
Rotatable Bonds
1
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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