Molecule

ID:15775

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂S
Molecular Mass
224.3656
Exact Mass
224.13471965
Charge
0
InChI
InChI=1S/C12H20N2S/c1-14-6-2-4-11(10-14)8-13-9-12-5-3-7-15-12/h3,5,7,11,13H,2,4,6,8-10H2,1H3
InChIKey
KIDUZWFJBRQQDB-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(C1)CNCc1cccs1
Isomeric Smiles
C1C(CN(CC1)C)CNCc1cccs1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3408718
LogD (pH = 7.4)
-0.8364815
Log P
1.9734396
Molar Refractivity
66.3662
Polarizability
26.03795
Polar Surface Area
15.27
Rotatable Bonds
4
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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