Molecule

ID:125326

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈FNO₂S
Molecular Mass
259.3402232
Exact Mass
259.10422804
Charge
0
InChI
InChI=1S/C12H18FNO2S/c1-15-10-8-12(17-6-4-13)11(16-2)7-9(10)3-5-14/h7-8H,3-6,14H2,1-2H3
InChIKey
ZBUUUKBTOCTOPW-UHFFFAOYSA-N
Canonic Smiles
NCCc1cc(OC)c(cc1OC)SCCF
Isomeric Smiles
COc1cc(SCCF)c(cc1CCN)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3618323
LogD (pH = 7.4)
-0.5756064
Log P
1.6418544
Molar Refractivity
69.7751
Polarizability
26.925943
Polar Surface Area
44.48
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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