Molecule

ID:26844

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-22-19-13-17(14-21-11-9-20-10-12-21)7-8-18(19)23-15-16-5-3-2-4-6-16/h2-8,13,20H,9-12,14-15H2,1H3
InChIKey
UGXXTNMWSZPWFR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OCc1ccccc1)CN1CCNCC1
Isomeric Smiles
N1(Cc2cc(c(OCc3ccccc3)cc2)OC)CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.34836861
LogD (pH = 7.4)
0.9712483
Log P
2.787845
Molar Refractivity
92.8951
Polarizability
36.503998
Polar Surface Area
33.73
Rotatable Bonds
6
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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