Molecule

ID:14548

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₅S
Molecular Mass
294.2832
Exact Mass
294.03104243
Charge
0
InChI
InChI=1S/C12H10N2O5S/c15-9(5-14-10(16)6-20-12(14)19)13-8-3-1-7(2-4-8)11(17)18/h1-4H,5-6H2,(H,13,15)(H,17,18)
InChIKey
OKHOEBXGXWTJHP-UHFFFAOYSA-N
Canonic Smiles
O=C(CN1C(=O)CSC1=O)Nc1ccc(cc1)C(=O)O
Isomeric Smiles
N1(C(=O)CSC1=O)CC(=O)Nc1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.1579714
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.8427594
LogD (pH = 7.4)
-2.5458357
Log P
0.5157799
Molar Refractivity
72.0544
Polarizability
26.890549
Polar Surface Area
103.78
Rotatable Bonds
4
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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