Molecule

ID:28460

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂
Molecular Mass
228.3327
Exact Mass
228.16264865
Charge
0
InChI
InChI=1S/C15H20N2/c1-2-4-14(5-3-1)17-11-12-6-7-13-8-9-16-15(13)10-12/h6-10,14,16-17H,1-5,11H2
InChIKey
OILRJBJNDOPALV-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)NCc1ccc2c(c1)[nH]cc2
Isomeric Smiles
c12[nH]ccc1ccc(c2)CNC1CCCCC1
Calculated Properties
JChem
Acid pKa
16.347221
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.20479243
LogD (pH = 7.4)
0.81092656
Log P
3.4296272
Molar Refractivity
71.4067
Polarizability
29.335701
Polar Surface Area
27.82
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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