Molecule

ID:124166

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)5-1-2-8-6(3-5)9(15)7(4-16-8)10(17)18/h1-4H,(H2,15,16)(H,17,18)
InChIKey
KSYFZAMZMXPMQD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc2c(c1N)cc(cc2)C(F)(F)F
Isomeric Smiles
c1(c(c2cc(C(F)(F)F)ccc2nc1)N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9441347
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.9195895
LogD (pH = 7.4)
0.84790117
Log P
0.91690755
Molar Refractivity
57.9096
Polarizability
21.57337
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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