Molecule

ID:27645

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₂S₂
Molecular Mass
241.32984
Exact Mass
241.0231206
Charge
0
InChI
InChI=1S/C10H11NO2S2/c1-4-7-6(2)15-9(11-5-14)8(7)10(12)13-3/h4H2,1-3H3
InChIKey
WZQCDDFWOUZGLV-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1sc(c(c1C(=O)OC)CC)C
Isomeric Smiles
c1(c(c(c(s1)C)CC)C(=O)OC)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5488367
LogD (pH = 7.4)
4.5488367
Log P
4.5488367
Molar Refractivity
66.1104
Polarizability
24.512396
Polar Surface Area
38.66
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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