Molecule

ID:115149

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃S₂
Molecular Mass
267.32406
Exact Mass
267.00238515
Charge
0
InChI
InChI=1S/C11H9NO3S2/c1-6-12-8(11(14)15-2)10(17-6)9(13)7-4-3-5-16-7/h3-5H,1-2H3
InChIKey
ZUEWIAKNXSNGDH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(sc1C(=O)c1cccs1)C
Isomeric Smiles
c1(c(nc(s1)C)C(=O)OC)C(=O)c1sccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.449104
LogD (pH = 7.4)
2.4491045
Log P
2.4491045
Molar Refractivity
64.6099
Polarizability
24.767447
Polar Surface Area
56.26
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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