Molecule

ID:77679

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O
Molecular Mass
296.40666
Exact Mass
296.1888634
Charge
0
InChI
InChI=1S/C19H24N2O/c1-3-7-17(8-4-1)13-21-12-11-20-19(14-21)16-22-15-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2/t19-/m1/s1
InChIKey
RDGPQHCJHZWORQ-LJQANCHMSA-N
Canonic Smiles
c1ccc(cc1)COC[C@@H]1NCCN(C1)Cc1ccccc1
Isomeric Smiles
N1(Cc2ccccc2)CCN[C@H](C1)COCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.0077800704
LogD (pH = 7.4)
1.5363429
Log P
3.115979
Molar Refractivity
90.6824
Polarizability
35.87919
Polar Surface Area
24.5
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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