Molecule

ID:67760

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClN₃O₂S
Molecular Mass
307.7554
Exact Mass
307.01822526
Charge
0
InChI
InChI=1S/C13H10ClN3O2S/c1-9-7-11-12(14)15-8-16-13(11)17(9)20(18,19)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
QSIDTDGOKALJNU-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc2c1cc(n2S(=O)(=O)c1ccccc1)C
Isomeric Smiles
c1nc2c(c(n1)Cl)cc(n2S(=O)(=O)c1ccccc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4633257
LogD (pH = 7.4)
2.4690433
Log P
2.4691167
Molar Refractivity
77.7975
Polarizability
30.543512
Polar Surface Area
64.85
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
References
Bioactivity
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