Molecule

ID:22485

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₃N₂O₃S
Molecular Mass
310.2927296
Exact Mass
310.05989795
Charge
0
InChI
InChI=1S/C11H13F3N2O3S/c1-2-19-9(17)7-8(11(12,13)14)15-10(20-7)16-3-5-18-6-4-16/h2-6H2,1H3
InChIKey
GVTUEPXWGDILLE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(nc1C(F)(F)F)N1CCOCC1
Isomeric Smiles
s1c(nc(c1C(=O)OCC)C(F)(F)F)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9622552
LogD (pH = 7.4)
2.9622552
Log P
2.9622552
Molar Refractivity
66.4025
Polarizability
24.397865
Polar Surface Area
51.66
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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