Molecule

ID:101968

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂S₂
Molecular Mass
270.37106
Exact Mass
270.0496697
Charge
0
InChI
InChI=1S/C11H14N2O2S2/c12-13-10(14)7-15-9-3-1-8(2-4-9)11-16-5-6-17-11/h1-4,11H,5-7,12H2,(H,13,14)
InChIKey
YTPFBADZNZQMCC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1ccc(cc1)C1SCCS1
Isomeric Smiles
C1(SCCS1)c1ccc(OCC(=O)NN)cc1
Calculated Properties
JChem
Acid pKa
11.873003
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2549701
LogD (pH = 7.4)
1.2563573
Log P
1.2563884
Molar Refractivity
72.7955
Polarizability
28.25691
Polar Surface Area
64.35
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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