Molecule

ID:17511

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂OS
Molecular Mass
266.74654
Exact Mass
266.02806166
Charge
0
InChI
InChI=1S/C12H11ClN2OS/c1-8-14-11(7-17-8)9-3-2-4-10(5-9)15-12(16)6-13/h2-5,7H,6H2,1H3,(H,15,16)
InChIKey
ZFQCNRJGUFAUAP-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1cccc(c1)c1csc(n1)C
Isomeric Smiles
c1(c2nc(sc2)C)cc(ccc1)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
13.269519
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5627673
LogD (pH = 7.4)
2.5632267
Log P
2.5632331
Molar Refractivity
70.0875
Polarizability
27.510258
Polar Surface Area
41.99
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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