Molecule

ID:96405

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄F₃NOS
Molecular Mass
313.3379696
Exact Mass
313.07481973
Charge
0
InChI
InChI=1S/C15H14F3NOS/c1-3-20-19-10(2)13-9-12(11-7-5-4-6-8-11)14(21-13)15(16,17)18/h4-9H,3H2,1-2H3
InChIKey
MACITGRNTOHYDU-UHFFFAOYSA-N
Canonic Smiles
CCO/N=C(/c1sc(c(c1)c1ccccc1)C(F)(F)F)\C
Isomeric Smiles
s1c(c(c2ccccc2)cc1/C(=N/OCC)/C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.845499
LogD (pH = 7.4)
4.8455358
Log P
4.845536
Molar Refractivity
77.2973
Polarizability
29.715229
Polar Surface Area
21.59
Rotatable Bonds
5
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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