Molecule

ID:57897

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₄O₂S₂
Molecular Mass
318.80294
Exact Mass
318.00119529
Charge
0
InChI
InChI=1S/C10H11ClN4O2S2/c11-7-1-3-8(4-2-7)19(16,17)13-6-5-9-14-15-10(12)18-9/h1-4,13H,5-6H2,(H2,12,15)
InChIKey
LRVWCMOEKGICPZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)NCCc1nnc(s1)N
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)Cl)NCCc1sc(nn1)N
Calculated Properties
JChem
Acid pKa
9.630952
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.0719875
LogD (pH = 7.4)
1.0697664
Log P
1.0720198
Molar Refractivity
76.0613
Polarizability
28.9798
Polar Surface Area
97.97
Rotatable Bonds
4
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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