Molecule

ID:26669

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂S
Molecular Mass
238.73644
Exact Mass
238.03314704
Charge
0
InChI
InChI=1S/C11H11ClN2S/c1-2-9-10(14-11(13)15-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H2,13,14)
InChIKey
OHRVZSIATXAKGK-UHFFFAOYSA-N
Canonic Smiles
CCc1sc(nc1c1ccc(cc1)Cl)N
Isomeric Smiles
n1c(c(sc1N)CC)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
17.59097
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1704097
LogD (pH = 7.4)
4.214321
Log P
4.2149124
Molar Refractivity
64.5894
Polarizability
25.64101
Polar Surface Area
38.91
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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