Molecule

ID:74240

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₄S
Molecular Mass
260.35794
Exact Mass
260.10956753
Charge
0
InChI
InChI=1S/C13H16N4S/c1-2-5-11(6-3-1)12-15-13(18-16-12)17-9-4-7-14-8-10-17/h1-3,5-6,14H,4,7-10H2
InChIKey
IENGAZSTLAONAR-UHFFFAOYSA-N
Canonic Smiles
N1CCCN(CC1)c1snc(n1)c1ccccc1
Isomeric Smiles
n1c(N2CCCNCC2)snc1c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.34509715
LogD (pH = 7.4)
0.9046609
Log P
2.9185104
Molar Refractivity
86.0135
Polarizability
28.64771
Polar Surface Area
41.05
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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