Molecule

ID:58713

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₅S
Molecular Mass
307.32172
Exact Mass
307.05144352
Charge
0
InChI
InChI=1S/C14H13NO5S/c1-3-17-13(16)12-8(2)21-14(15-12)20-9-4-5-10-11(6-9)19-7-18-10/h4-6H,3,7H2,1-2H3
InChIKey
JJUGBMGSDCZWTP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc(sc1C)Oc1ccc2c(c1)OCO2
Isomeric Smiles
c1(nc(sc1C)Oc1cc2c(OCO2)cc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6318052
LogD (pH = 7.4)
3.6318054
Log P
3.6318054
Molar Refractivity
74.2056
Polarizability
29.078678
Polar Surface Area
66.88
Rotatable Bonds
5
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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