Molecule

ID:53300

General Information
Structure
Molecular Formula
C₁₃H₁₇NO₃S
Molecular Mass
267.34398
Exact Mass
267.09291441
Charge
0
InChI
InChI=1S/C13H17NO3S/c1-13(2,3)17-12(16)14-5-4-11-9(7-14)6-10(8-15)18-11/h6,8H,4-5,7H2,1-3H3
InChIKey
LEONLAFPFCQRNM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc2c(c1)CN(CC2)C(=O)OC(C)(C)C
Isomeric Smiles
C1Cc2c(CN1C(=O)OC(C)(C)C)cc(s2)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6124992
LogD (pH = 7.4)
2.6124992
Log P
2.6124992
Molar Refractivity
70.9791
Polarizability
26.842598
Polar Surface Area
46.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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