Molecule

ID:54895

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClN₃O₂S
Molecular Mass
307.7554
Exact Mass
307.01822526
Charge
0
InChI
InChI=1S/C13H10ClN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(17)13(14)16-8-15-11/h2-8H,1H3
InChIKey
VSFDYYLYTLVJCC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1c(Cl)ncn2
Isomeric Smiles
c1nc2c(c(n1)Cl)n(cc2)S(=O)(=O)c1ccc(C)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7976332
LogD (pH = 7.4)
2.801318
Log P
2.8013651
Molar Refractivity
77.3644
Polarizability
31.207027
Polar Surface Area
64.85
Rotatable Bonds
1
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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