Molecule

ID:28257

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₄O₂S₂
Molecular Mass
290.40552
Exact Mass
290.08711784
Charge
0
InChI
InChI=1S/C10H18N4O2S2/c1-3-18(15,16)14-6-4-5-8(7-14)9-11-12-10(17)13(9)2/h8H,3-7H2,1-2H3,(H,12,17)
InChIKey
IVFRVIUMRUVYCA-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)N1CCCC(C1)c1nnc(n1C)S
Isomeric Smiles
n1(c(nnc1S)C1CN(S(=O)(=O)CC)CCC1)C
Calculated Properties
JChem
Acid pKa
7.6079717
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.11132106
LogD (pH = 7.4)
-0.3074233
Log P
-0.10801428
Molar Refractivity
74.3664
Polarizability
28.644403
Polar Surface Area
68.09
Rotatable Bonds
2
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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