Molecule

ID:125323

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₂S
Molecular Mass
269.40292
Exact Mass
269.14494998
Charge
0
InChI
InChI=1S/C14H23NO2S/c1-5-10(2)18-14-9-12(16-3)11(6-7-15)8-13(14)17-4/h8-10H,5-7,15H2,1-4H3
InChIKey
KSZHVRPGICAZOA-UHFFFAOYSA-N
Canonic Smiles
NCCc1cc(OC)c(cc1OC)SC(CC)C
Isomeric Smiles
CC(CC)Sc1cc(OC)c(cc1OC)CCN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.21478184
LogD (pH = 7.4)
0.57150704
Log P
2.7888994
Molar Refractivity
78.7615
Polarizability
30.91273
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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