Molecule

ID:90495

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂S
Molecular Mass
224.3656
Exact Mass
224.13471965
Charge
0
InChI
InChI=1S/C12H20N2S/c1-12(2,3)10-8-15-11(14-10)9-4-6-13-7-5-9/h8-9,13H,4-7H2,1-3H3
InChIKey
JQYOZZMLTAZELM-UHFFFAOYSA-N
Canonic Smiles
CC(c1csc(n1)C1CCNCC1)(C)C
Isomeric Smiles
s1c(nc(c1)C(C)(C)C)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4216259
LogD (pH = 7.4)
0.3899061
Log P
2.7895877
Molar Refractivity
64.4326
Polarizability
25.30462
Polar Surface Area
24.92
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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