Molecule
ID:29646
General Information
Molecular Formula
C₁₉H₂₆N₂O₂
Molecular Mass
314.42194
Exact Mass
314.19942808
Charge
0
InChI
InChI=1S/C19H26N2O2/c1-4-21(5-2)17-8-6-16(7-9-17)20-14-15-23-19-12-10-18(22-3)11-13-19/h6-13,20H,4-5,14-15H2,1-3H3
InChIKey
FADQZYOOQHKADR-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)NCCOc1ccc(cc1)OC)CC
Isomeric Smiles
c1(N(CC)CC)ccc(NCCOc2ccc(cc2)OC)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8186061
LogD (pH = 7.4)
3.4201844
Log P
3.754062
Molar Refractivity
97.193
Polarizability
36.454678
Polar Surface Area
33.73
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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