Molecule

ID:118014

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂
Molecular Mass
228.3327
Exact Mass
228.16264865
Charge
0
InChI
InChI=1S/C15H20N2/c1-11-4-6-14(7-5-11)10-17-12(2)8-15(9-16)13(17)3/h4-8H,9-10,16H2,1-3H3
InChIKey
OMGDOZKVKMBDOB-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)Cc1ccc(cc1)C)C
Isomeric Smiles
n1(c(c(cc1C)CN)C)Cc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.043221746
LogD (pH = 7.4)
0.90787286
Log P
3.0395916
Molar Refractivity
74.1401
Polarizability
28.100294
Polar Surface Area
30.95
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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