Molecule

ID:13280

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₂S
Molecular Mass
270.73524
Exact Mass
270.02297628
Charge
0
InChI
InChI=1S/C11H11ClN2O2S/c1-2-16-7-3-4-8-9(5-7)17-11(13-8)14-10(15)6-12/h3-5H,2,6H2,1H3,(H,13,14,15)
InChIKey
RTLJXLUAHMPBAV-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc2c(c1)sc(n2)NC(=O)CCl
Isomeric Smiles
c1(cc2c(cc1)nc(s2)NC(=O)CCl)OCC
Calculated Properties
JChem
Acid pKa
10.570938
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7719085
LogD (pH = 7.4)
2.7716343
Log P
2.7719126
Molar Refractivity
67.43
Polarizability
26.725004
Polar Surface Area
51.22
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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