Molecule

ID:13537

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₂S
Molecular Mass
277.38186
Exact Mass
277.11364985
Charge
0
InChI
InChI=1S/C15H19NO2S/c1-17-14-6-5-12(10-15(14)18-2)7-8-16-11-13-4-3-9-19-13/h3-6,9-10,16H,7-8,11H2,1-2H3
InChIKey
DLTWANYLDILFCK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNCc2cccs2)ccc1OC
Isomeric Smiles
c1c(c(cc(c1)CCNCc1sccc1)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.013173824
LogD (pH = 7.4)
1.1639358
Log P
3.1422677
Molar Refractivity
78.4899
Polarizability
30.57865
Polar Surface Area
30.49
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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