Molecule

ID:9277

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)5-1-3-6(12-11)4-2-5/h1-4,12H,11H2
InChIKey
DBNLGTYGKCMLLR-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1c(ccc(c1)NN)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0367053
LogD (pH = 7.4)
2.239429
Log P
2.2427368
Molar Refractivity
41.7384
Polarizability
14.084089
Polar Surface Area
38.05
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
References
Bioactivity
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