Molecule

ID:84269

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₂S
Molecular Mass
270.73524
Exact Mass
270.02297628
Charge
0
InChI
InChI=1S/C11H11ClN2O2S/c1-3-16-11(15)8-4-7(2)14-10(17-6-12)9(8)5-13/h4H,3,6H2,1-2H3
InChIKey
IFOOINUMBJIICH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(C)nc(c1C#N)SCCl
Isomeric Smiles
n1c(c(c(cc1C)C(=O)OCC)C#N)SCCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6358461
LogD (pH = 7.4)
2.6358464
Log P
2.6358464
Molar Refractivity
68.5477
Polarizability
26.09264
Polar Surface Area
62.98
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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