Molecule
ID:122814
General Information
Molecular Formula
C₁₄H₁₃NO₄S
Molecular Mass
291.32232
Exact Mass
291.0565289
Charge
0
InChI
InChI=1S/C14H13NO4S/c1-3-18-13(17)12-9(2)15-14(20-12)19-11-6-4-10(8-16)5-7-11/h4-8H,3H2,1-2H3
InChIKey
YYSLSVRTWOTXJI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc(nc1C)Oc1ccc(cc1)C=O
Isomeric Smiles
c1(sc(nc1C)Oc1ccc(C=O)cc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1531727
LogD (pH = 7.4)
3.1531727
Log P
3.1531727
Molar Refractivity
74.714
Polarizability
28.453781
Polar Surface Area
65.49
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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