Molecule

ID:125461

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₂S
Molecular Mass
269.40292
Exact Mass
269.14494998
Charge
0
InChI
InChI=1S/C14H23NO2S/c1-5-11(15)7-10-8-13(17-4)14(18-6-2)9-12(10)16-3/h8-9,11H,5-7,15H2,1-4H3
InChIKey
KLAWPCIXPDTGCZ-UHFFFAOYSA-N
Canonic Smiles
CCSc1cc(OC)c(cc1OC)CC(CC)N
Isomeric Smiles
COc1cc(SCC)c(OC)cc1CC(N)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.124058835
LogD (pH = 7.4)
0.46645534
Log P
2.8926775
Molar Refractivity
78.7123
Polarizability
30.912066
Polar Surface Area
44.48
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
References
Bioactivity
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