Molecule

ID:47708

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂
Molecular Mass
240.3434
Exact Mass
240.16264865
Charge
0
InChI
InChI=1S/C16H20N2/c1-3-18(12-14-7-5-4-6-8-14)16-10-9-13(2)11-15(16)17/h4-11H,3,12,17H2,1-2H3
InChIKey
GGUVTVUNTVYPLX-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1N)C)Cc1ccccc1
Isomeric Smiles
c1(N(Cc2ccccc2)CC)c(cc(cc1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7890248
LogD (pH = 7.4)
3.8462849
Log P
3.8470662
Molar Refractivity
79.5894
Polarizability
29.550556
Polar Surface Area
29.26
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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