Molecule

ID:26826

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂S
Molecular Mass
196.31244
Exact Mass
196.10341952
Charge
0
InChI
InChI=1S/C10H16N2S/c1-9-2-3-10(13-9)8-12-6-4-11-5-7-12/h2-3,11H,4-8H2,1H3
InChIKey
ILYCCUORILQOFP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)CN1CCNCC1
Isomeric Smiles
s1c(ccc1C)CN1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3323617
LogD (pH = 7.4)
0.020347295
Log P
1.9374564
Molar Refractivity
57.3023
Polarizability
22.268982
Polar Surface Area
15.27
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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