Molecule

ID:40380

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O
Molecular Mass
280.3642
Exact Mass
280.15756327
Charge
0
InChI
InChI=1S/C18H20N2O/c21-15-17-6-8-18(9-7-17)20-12-10-19(11-13-20)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKey
JDWZUVQRUPAVPK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(c2ccc(C=O)cc2)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5237262
LogD (pH = 7.4)
3.0911183
Log P
3.3653848
Molar Refractivity
87.7333
Polarizability
32.987442
Polar Surface Area
23.55
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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