Molecule

ID:96103

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClF₃N₂O
Molecular Mass
314.6902096
Exact Mass
314.04337529
Charge
0
InChI
InChI=1S/C14H10ClF3N2O/c1-20-8-11(15)12(19-20)6-7-13(21)9-4-2-3-5-10(9)14(16,17)18/h2-8H,1H3
InChIKey
RUXGKPAHGQHSLZ-UHFFFAOYSA-N
Canonic Smiles
Cn1cc(c(n1)/C=C/C(=O)c1ccccc1C(F)(F)F)Cl
Isomeric Smiles
n1c(c(cn1C)Cl)/C=C/C(=O)c1c(cccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
14.209973
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.033712
LogD (pH = 7.4)
4.033739
Log P
4.0337396
Molar Refractivity
86.1118
Polarizability
26.990095
Polar Surface Area
34.89
Rotatable Bonds
4
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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