Molecule

ID:94064

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₃N₂O
Molecular Mass
190.1226096
Exact Mass
190.03539745
Charge
0
InChI
InChI=1S/C7H5F3N2O/c8-7(9,10)6-5(2-1-3-11)4-12-13-6/h4H,1-2H2
InChIKey
WRZNAWMOOFEHDJ-UHFFFAOYSA-N
Canonic Smiles
N#CCCc1cnoc1C(F)(F)F
Isomeric Smiles
n1cc(c(o1)C(F)(F)F)CCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2759066
LogD (pH = 7.4)
1.2759067
Log P
1.2759067
Molar Refractivity
38.2391
Polarizability
13.227536
Polar Surface Area
49.82
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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