Molecule

ID:12799

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₄S
Molecular Mass
266.2731
Exact Mass
266.03612781
Charge
0
InChI
InChI=1S/C11H10N2O4S/c14-10(15)7-18-11-13-12-9(17-11)6-16-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKey
QNJLAWJXKWHCNN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CSc1nnc(o1)COc1ccccc1
Isomeric Smiles
n1nc(oc1SCC(=O)O)COc1ccccc1
Calculated Properties
JChem
Acid pKa
3.1535254
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.2470554
LogD (pH = 7.4)
-2.3794954
Log P
1.0737704
Molar Refractivity
65.8508
Polarizability
24.944487
Polar Surface Area
85.45
Rotatable Bonds
6
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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