Molecule

ID:16484

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₂OS
Molecular Mass
266.74654
Exact Mass
266.02806166
Charge
0
InChI
InChI=1S/C12H11ClN2OS/c13-7-11(16)15-12-14-8-10(17-12)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15,16)
InChIKey
JHXGLKACLBGNHG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ncc(s1)Cc1ccccc1
Isomeric Smiles
c1(Cc2ccccc2)sc(nc1)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.6715355
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3155713
LogD (pH = 7.4)
3.3153555
Log P
3.3155763
Molar Refractivity
70.0312
Polarizability
26.212227
Polar Surface Area
41.99
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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