Molecule

ID:64766

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₃N₂
Molecular Mass
176.1390896
Exact Mass
176.05613289
Charge
0
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)6(11)5-2-1-3-12-4-5/h1-4,6H,11H2
InChIKey
ROWMBYANNAKARY-UHFFFAOYSA-N
Canonic Smiles
NC(C(F)(F)F)c1cccnc1
Isomeric Smiles
c1cncc(c1)C(N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.839322
LogD (pH = 7.4)
0.8954432
Log P
0.8962051
Molar Refractivity
37.4948
Polarizability
14.012574
Polar Surface Area
38.91
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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