Molecule

ID:14817

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄S
Molecular Mass
266.2731
Exact Mass
266.03612781
Charge
0
InChI
InChI=1S/C11H10N2O4S/c1-13-9(14)8(18-11(13)17)12-7-4-2-6(3-5-7)10(15)16/h2-5,8,12H,1H3,(H,15,16)
InChIKey
HGVOGVKWWMNDCA-UHFFFAOYSA-N
Canonic Smiles
O=C1SC(C(=O)N1C)Nc1ccc(cc1)C(=O)O
Isomeric Smiles
C1(C(=O)N(C(=O)S1)C)Nc1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.7010508
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.41717783
LogD (pH = 7.4)
-1.3606192
Log P
1.279356
Molar Refractivity
66.8814
Polarizability
24.939718
Polar Surface Area
86.71
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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