Molecule

ID:40861

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃N₃O₂S
Molecular Mass
305.2762096
Exact Mass
305.04458224
Charge
0
InChI
InChI=1S/C11H10F3N3O2S/c1-3-19-9(18)7-5-20-10(15-7)17-8(11(12,13)14)4-6(2)16-17/h4-5H,3H2,1-2H3
InChIKey
OPRXTZLQAZZRCP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1csc(n1)n1nc(cc1C(F)(F)F)C
Isomeric Smiles
n1n(c(cc1C)C(F)(F)F)c1nc(cs1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8773906
LogD (pH = 7.4)
2.8774612
Log P
2.8774621
Molar Refractivity
65.946
Polarizability
24.049952
Polar Surface Area
57.01
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
No Data Available
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Molecule Details
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References
Bioactivity
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