Molecule

ID:24797

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O₂S
Molecular Mass
270.73524
Exact Mass
270.02297628
Charge
0
InChI
InChI=1S/C11H11ClN2O2S/c1-8-11(17(12,15)16)9(2)14(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKey
YOZYVZVQEADZEV-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1S(=O)(=O)Cl)C)c1ccccc1
Isomeric Smiles
c1(c(n(nc1C)c1ccccc1)C)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.336251
LogD (pH = 7.4)
2.3362982
Log P
2.336299
Molar Refractivity
68.3551
Polarizability
26.985104
Polar Surface Area
51.96
Rotatable Bonds
2
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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