Molecule

ID:26746

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₃S₂
Molecular Mass
282.3387
Exact Mass
282.01328419
Charge
0
InChI
InChI=1S/C11H10N2O3S2/c1-16-11(15)7-3-5-18-10(7)13-9(14)6-2-4-17-8(6)12/h2-5H,12H2,1H3,(H,13,14)
InChIKey
WRUAIFUGHYVACF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccsc1NC(=O)c1ccsc1N
Isomeric Smiles
c1(c(C(=O)OC)ccs1)NC(=O)c1c(scc1)N
Calculated Properties
JChem
Acid pKa
8.586801
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.432217
LogD (pH = 7.4)
3.4065955
Log P
3.4325576
Molar Refractivity
70.8486
Polarizability
25.987213
Polar Surface Area
81.42
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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