Molecule

ID:43156

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂O₂S
Molecular Mass
282.74594
Exact Mass
282.02297628
Charge
0
InChI
InChI=1S/C12H11ClN2O2S/c1-17-12(16)10-8(14)6-4-7(13)9(5-2-3-5)15-11(6)18-10/h4-5H,2-3,14H2,1H3
InChIKey
ZJENFWZSDVGOFH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc2c(c1N)cc(c(n2)C1CC1)Cl
Isomeric Smiles
c1(sc2c(c1N)cc(c(n2)C1CC1)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.4712615
LogD (pH = 7.4)
3.4712617
Log P
3.4712617
Molar Refractivity
70.4991
Polarizability
27.177261
Polar Surface Area
65.21
Rotatable Bonds
3
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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