Molecule

ID:27660

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃S₂
Molecular Mass
284.35458
Exact Mass
284.02893425
Charge
0
InChI
InChI=1S/C11H12N2O3S2/c1-6-7(11(15)16-4)9(12-5-17)18-8(6)10(14)13(2)3/h1-4H3
InChIKey
PKVLGNWQCYOOLO-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C
Isomeric Smiles
c1(c(c(c(s1)N=C=S)C(=O)OC)C)C(=O)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8888392
LogD (pH = 7.4)
2.8888392
Log P
2.8888392
Molar Refractivity
75.109
Polarizability
27.501526
Polar Surface Area
58.97
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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