Molecule

ID:58671

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClN₃O₄S₂
Molecular Mass
371.8192
Exact Mass
370.9801255
Charge
0
InChI
InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)
InChIKey
WLHQHAUOOXYABV-UHFFFAOYSA-N
Canonic Smiles
Clc1sc2c(c1)S(=O)(=O)N(C(=C2O)C(=O)Nc1ccccn1)C
Isomeric Smiles
C1(=C(c2c(S(=O)(=O)N1C)cc(s2)Cl)O)C(=O)Nc1ccccn1
Calculated Properties
JChem
Acid pKa
1.8192503
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.5162346
LogD (pH = 7.4)
-1.1390667
Log P
0.63802785
Molar Refractivity
87.8981
Polarizability
33.417343
Polar Surface Area
99.6
Rotatable Bonds
2
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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