Molecule

ID:11062

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄S
Molecular Mass
266.2731
Exact Mass
266.03612781
Charge
0
InChI
InChI=1S/C11H10N2O4S/c14-10(15)7-13-18(16,17)9-5-1-3-8-4-2-6-12-11(8)9/h1-6,13H,7H2,(H,14,15)
InChIKey
SRSWCYQJDZNZEC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNS(=O)(=O)c1cccc2c1nccc2
Isomeric Smiles
S(=O)(=O)(c1c2ncccc2ccc1)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.097732
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.9364663
LogD (pH = 7.4)
-3.026422
Log P
0.43859062
Molar Refractivity
63.1185
Polarizability
26.4508
Polar Surface Area
96.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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