Molecule

ID:15652

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂
Molecular Mass
240.3434
Exact Mass
240.16264865
Charge
0
InChI
InChI=1S/C16H20N2/c1-13(2)16-5-3-14(4-6-16)11-18-12-15-7-9-17-10-8-15/h3-10,13,18H,11-12H2,1-2H3
InChIKey
QWRFQUFONLSSOU-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)CNCc1ccncc1)C
Isomeric Smiles
c1(ccc(cc1)CNCc1ccncc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.30858815
LogD (pH = 7.4)
1.862774
Log P
3.2834046
Molar Refractivity
75.9525
Polarizability
29.743702
Polar Surface Area
24.92
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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