Molecule

ID:29017

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-15(2)14-21-19-11-7-8-17(12-19)13-20-16(3)18-9-5-4-6-10-18/h4-12,15-16,20H,13-14H2,1-3H3
InChIKey
DSOPMSXNCUKBAA-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cccc(c1)CNC(c1ccccc1)C)C
Isomeric Smiles
N(C(c1ccccc1)C)Cc1cc(OCC(C)C)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6929116
LogD (pH = 7.4)
3.1163704
Log P
4.7592745
Molar Refractivity
88.5448
Polarizability
35.087017
Polar Surface Area
21.26
Rotatable Bonds
7
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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