Molecule

ID:126009

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClN₆O₂S₂
Molecular Mass
370.83774
Exact Mass
370.0073433
Charge
0
InChI
InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)
InChIKey
HMEDEBAJARCKCT-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(NCc2cccs2)c(cc1S(=O)(=O)N)c1nnn[nH]1
Isomeric Smiles
O=S(=O)(N)c1c(Cl)cc(c(c2nnn[nH]2)c1)NCc1sccc1
Calculated Properties
JChem
Acid pKa
4.1996408
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
0.42507234
LogD (pH = 7.4)
-0.029082522
Log P
1.574014
Molar Refractivity
102.0792
Polarizability
34.22842
Polar Surface Area
126.65
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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