Molecule

ID:99248

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₃N₂O
Molecular Mass
192.1384896
Exact Mass
192.05104751
Charge
0
InChI
InChI=1S/C7H7F3N2O/c8-7(9,10)13-6-2-1-4(11)3-5(6)12/h1-3H,11-12H2
InChIKey
BAFWFBOAYMQWHR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)N)OC(F)(F)F
Isomeric Smiles
O(c1ccc(cc1N)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6758666
LogD (pH = 7.4)
1.7455403
Log P
1.7465055
Molar Refractivity
38.5291
Polarizability
14.639476
Polar Surface Area
61.27
Rotatable Bonds
2
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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