Molecule

ID:126804

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂S
Molecular Mass
261.3394
Exact Mass
261.08234973
Charge
0
InChI
InChI=1S/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKey
UEZWYKZHXASYJN-UHFFFAOYSA-N
Canonic Smiles
O=C1N(SC2CCCCC2)C(=O)c2c1cccc2
Isomeric Smiles
O=C1c2ccccc2C(=O)N1SC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3365924
LogD (pH = 7.4)
3.3365924
Log P
3.3365924
Molar Refractivity
73.047
Polarizability
27.53202
Polar Surface Area
37.38
Rotatable Bonds
2
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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