Molecule

ID:87373

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂S
Molecular Mass
210.33902
Exact Mass
210.11906959
Charge
0
InChI
InChI=1S/C11H18N2S/c1-12-9-10-5-6-11(14-10)13-7-3-2-4-8-13/h5-6,12H,2-4,7-9H2,1H3
InChIKey
IYCFKHSEOVLIPK-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(s1)N1CCCCC1
Isomeric Smiles
s1c(ccc1N1CCCCC1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5828809
LogD (pH = 7.4)
0.6092681
Log P
2.568882
Molar Refractivity
61.9264
Polarizability
23.796278
Polar Surface Area
15.27
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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