Molecule

ID:44469

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆FNOS
Molecular Mass
241.3249432
Exact Mass
241.09366336
Charge
0
InChI
InChI=1S/C12H16FNOS/c13-6-1-8-15-11-4-2-10(3-5-11)12-14-7-9-16-12/h2-5,12,14H,1,6-9H2
InChIKey
YJMNOVGUJOGKGS-UHFFFAOYSA-N
Canonic Smiles
FCCCOc1ccc(cc1)C1NCCS1
Isomeric Smiles
C1(NCCS1)c1ccc(cc1)OCCCF
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.13174143
LogD (pH = 7.4)
1.590597
Log P
2.1935563
Molar Refractivity
65.3703
Polarizability
25.597744
Polar Surface Area
21.26
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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