Molecule

ID:27669

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂S₂
Molecular Mass
268.35518
Exact Mass
268.03401963
Charge
0
InChI
InChI=1S/C11H12N2O2S2/c14-17(15,13-7-1-2-8-13)11-5-3-10(4-6-11)12-9-16/h3-6H,1-2,7-8H2
InChIKey
BVDSWHZMJJHNAD-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Isomeric Smiles
S(=O)(=O)(N1CCCC1)c1ccc(N=C=S)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4542508
LogD (pH = 7.4)
2.4542513
Log P
2.4542515
Molar Refractivity
72.6132
Polarizability
27.937128
Polar Surface Area
49.74
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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