Molecule

ID:124445

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₃N₂O₂
Molecular Mass
256.1806896
Exact Mass
256.04596213
Charge
0
InChI
InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-2-5-8(15)6(10(17)18)4-16-9(5)7/h1-4H,(H2,15,16)(H,17,18)
InChIKey
AFLZKGMZZBXNDQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc2c(c1N)cccc2C(F)(F)F
Isomeric Smiles
c1(c(c2c(c(C(F)(F)F)ccc2)nc1)N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9410431
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.95884603
LogD (pH = 7.4)
0.3377691
Log P
0.9726587
Molar Refractivity
57.9096
Polarizability
21.576893
Polar Surface Area
76.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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