Molecule

ID:13559

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂S
Molecular Mass
198.32832
Exact Mass
198.11906959
Charge
0
InChI
InChI=1S/C10H18N2S/c1-12(2)7-4-6-11-9-10-5-3-8-13-10/h3,5,8,11H,4,6-7,9H2,1-2H3
InChIKey
WNDWOEWEQBGZIE-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNCc1cccs1)C
Isomeric Smiles
c1cc(sc1)CNCCCN(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6671019
LogD (pH = 7.4)
-1.1869226
Log P
1.5230802
Molar Refractivity
59.0804
Polarizability
23.083008
Polar Surface Area
15.27
Rotatable Bonds
6
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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