Molecule

ID:96155

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClF₃N₂O
Molecular Mass
264.6315296
Exact Mass
264.02772523
Charge
0
InChI
InChI=1S/C10H8ClF3N2O/c11-8-7(10(12,13)14)3-6(4-15-8)16-9(17)5-1-2-5/h3-5H,1-2H2,(H,16,17)
InChIKey
VTGQSBHWSTXRNT-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)Nc1cnc(c(c1)C(F)(F)F)Cl
Isomeric Smiles
n1c(c(cc(c1)NC(=O)C1CC1)C(F)(F)F)Cl
Calculated Properties
JChem
Acid pKa
12.568071
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4751499
LogD (pH = 7.4)
2.4751475
Log P
2.4751503
Molar Refractivity
58.0031
Polarizability
20.607447
Polar Surface Area
41.99
Rotatable Bonds
3
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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