Molecule

ID:47890

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)15-9-10-16(17)13(2)11-15/h4-11H,3,12,17H2,1-2H3
InChIKey
UWNNKWMRSLQOTJ-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(c(c1)C)N)Cc1ccccc1
Isomeric Smiles
c1(N(Cc2ccccc2)CC)cc(c(cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.983414
LogD (pH = 7.4)
3.8136373
Log P
3.8470662
Molar Refractivity
79.5894
Polarizability
29.549768
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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