Molecule

ID:96693

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃F₃N₂O₄S
Molecular Mass
362.3242296
Exact Mass
362.05481257
Charge
0
InChI
InChI=1S/C14H13F3N2O4S/c1-3-22-12(20)7-5-6-8(18)9(13(21)23-4-2)24-11(6)19-10(7)14(15,16)17/h5H,3-4,18H2,1-2H3
InChIKey
YVHYPZIKTPMTKQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c(nc1C(F)(F)F)sc(c2N)C(=O)OCC
Isomeric Smiles
s1c2c(cc(c(n2)C(F)(F)F)C(=O)OCC)c(c1C(=O)OCC)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.9368424
LogD (pH = 7.4)
3.9368424
Log P
3.9368424
Molar Refractivity
80.8278
Polarizability
30.020649
Polar Surface Area
91.51
Rotatable Bonds
7
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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