Molecule

ID:13198

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂
Molecular Mass
240.3434
Exact Mass
240.16264865
Charge
0
InChI
InChI=1S/C16H20N2/c1-18(2)16-10-8-15(9-11-16)13-17-12-14-6-4-3-5-7-14/h3-11,17H,12-13H2,1-2H3
InChIKey
RIGVUXXPGPTPSL-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)CNCc1ccccc1)C
Isomeric Smiles
c1c(ccc(c1)N(C)C)CNCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.20505027
LogD (pH = 7.4)
1.5477601
Log P
3.3641117
Molar Refractivity
78.3472
Polarizability
30.035042
Polar Surface Area
15.27
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
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Molecule Details
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References
Bioactivity
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