Molecule

ID:29615

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O
Molecular Mass
284.39596
Exact Mass
284.1888634
Charge
0
InChI
InChI=1S/C18H24N2O/c1-3-20(4-2)17-12-10-16(11-13-17)19-14-15-21-18-8-6-5-7-9-18/h5-13,19H,3-4,14-15H2,1-2H3
InChIKey
DTSXWDNQWJERTR-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)NCCOc1ccccc1)CC
Isomeric Smiles
c1(N(CC)CC)ccc(NCCOc2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9762774
LogD (pH = 7.4)
3.5778556
Log P
3.9117334
Molar Refractivity
90.7298
Polarizability
33.96054
Polar Surface Area
24.5
Rotatable Bonds
8
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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