Molecule

ID:26415

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₂S
Molecular Mass
275.36598
Exact Mass
275.09799979
Charge
0
InChI
InChI=1S/C15H17NO2S/c1-3-8-18-15(17)13-12(9-19-14(13)16)11-6-4-10(2)5-7-11/h4-7,9H,3,8,16H2,1-2H3
InChIKey
KCBQLCZOZOIVJP-UHFFFAOYSA-N
Canonic Smiles
CCCOC(=O)c1c(N)scc1c1ccc(cc1)C
Isomeric Smiles
c1(c(csc1N)c1ccc(cc1)C)C(=O)OCCC
Calculated Properties
JChem
Acid pKa
17.600468
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.7842116
LogD (pH = 7.4)
4.7842116
Log P
4.7842116
Molar Refractivity
78.4994
Polarizability
30.944204
Polar Surface Area
52.32
Rotatable Bonds
5
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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