Molecule

ID:41178

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂S
Molecular Mass
238.73644
Exact Mass
238.03314704
Charge
0
InChI
InChI=1S/C11H11ClN2S/c1-7-10(6-13)15-11(14-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3
InChIKey
FMLXOUPJBDGSMT-UHFFFAOYSA-N
Canonic Smiles
NCc1sc(nc1C)c1ccc(cc1)Cl
Isomeric Smiles
n1c(sc(c1C)CN)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1126396
LogD (pH = 7.4)
1.4332861
Log P
2.6504316
Molar Refractivity
74.0218
Polarizability
25.36478
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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