Molecule

ID:116136

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₄OS
Molecular Mass
240.32524
Exact Mass
240.10448215
Charge
0
InChI
InChI=1S/C10H16N4OS/c1-8(15)12-10-13-9(7-16-10)6-14-4-2-11-3-5-14/h7,11H,2-6H2,1H3,(H,12,13,15)
InChIKey
UELBDEAGHUNLED-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1scc(n1)CN1CCNCC1
Isomeric Smiles
c1(nc(cs1)CN1CCNCC1)NC(=O)C
Calculated Properties
JChem
Acid pKa
10.816664
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.0749135
LogD (pH = 7.4)
-1.762388
Log P
-0.08403134
Molar Refractivity
64.3786
Polarizability
24.556042
Polar Surface Area
57.26
Rotatable Bonds
3
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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