Molecule

ID:16700

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₄O₂S₂
Molecular Mass
284.35788
Exact Mass
284.04016764
Charge
0
InChI
InChI=1S/C10H12N4O2S2/c15-18(16,14-6-4-11-5-7-14)9-3-1-2-8-10(9)13-17-12-8/h1-3,11H,4-7H2
InChIKey
DPNIKKVQBHVYMT-UHFFFAOYSA-N
Canonic Smiles
O=S(=O)(c1cccc2c1nsn2)N1CCNCC1
Isomeric Smiles
c12c(S(=O)(=O)N3CCNCC3)cccc1nsn2
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.0273145
LogD (pH = 7.4)
0.43573892
Log P
0.6343294
Molar Refractivity
69.2471
Polarizability
28.28877
Polar Surface Area
75.19
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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