Molecule

ID:95686

General Information
Structure
Molecular Formula
C₁₆H₂₀FNO₃S₂
Molecular Mass
357.4633032
Exact Mass
357.08686373
Charge
0
InChI
InChI=1S/C16H20FNO3S2/c1-2-21-16(20)8-7-14(19)18-9-10-22-15(18)11-23-13-5-3-12(17)4-6-13/h3-6,15H,2,7-11H2,1H3
InChIKey
KEUFELDOFAQSLK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCC(=O)N1CCSC1CSc1ccc(cc1)F
Isomeric Smiles
N1(C(=O)CCC(=O)OCC)C(SCC1)CSc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.387565
LogD (pH = 7.4)
2.3875651
Log P
2.3875651
Molar Refractivity
92.1837
Polarizability
35.81009
Polar Surface Area
46.61
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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