Molecule

ID:53722

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(14)15-8-16-13(11)17/h2-8H,1H3
InChIKey
BTOJSYRZQZOMOK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1ncnc2Cl
Isomeric Smiles
n1(S(=O)(=O)c2ccc(cc2)C)c2c(cc1)c(ncn2)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7764335
LogD (pH = 7.4)
2.7828937
Log P
2.7829769
Molar Refractivity
77.689
Polarizability
30.545967
Polar Surface Area
64.85
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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