Molecule

ID:81672

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₅S
Molecular Mass
286.30426
Exact Mass
286.06234256
Charge
0
InChI
InChI=1S/C11H14N2O5S/c1-4-18-11(16)9(14)13-12-7-6(2)5-19-8(7)10(15)17-3/h5,12H,4H2,1-3H3,(H,13,14)
InChIKey
WMFBXQLTLGJUKE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)NNc1c(C)csc1C(=O)OC
Isomeric Smiles
s1c(c(c(c1)C)NNC(=O)C(=O)OCC)C(=O)OC
Calculated Properties
JChem
Acid pKa
10.664663
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.8473213
LogD (pH = 7.4)
2.8471148
Log P
2.847324
Molar Refractivity
69.4155
Polarizability
25.874296
Polar Surface Area
93.73
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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