Molecule

ID:36476

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂S
Molecular Mass
260.3977
Exact Mass
260.13471965
Charge
0
InChI
InChI=1S/C15H20N2S/c1-11(2)12-5-7-13(8-6-12)17-10-9-15(3,4)16-14(17)18/h5-11H,1-4H3,(H,16,18)
InChIKey
CESIDABSDJFYKE-UHFFFAOYSA-N
Canonic Smiles
SC1=NC(C)(C)C=CN1c1ccc(cc1)C(C)C
Isomeric Smiles
C1(=NC(C=CN1c1ccc(cc1)C(C)C)(C)C)S
Calculated Properties
JChem
Acid pKa
7.014483
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.5167665
LogD (pH = 7.4)
4.261992
Log P
4.6264615
Molar Refractivity
81.5048
Polarizability
30.824743
Polar Surface Area
15.6
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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