Molecule

ID:29010

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-14-9-11-18(12-10-14)20-15(2)13-19-16(3)17-7-5-4-6-8-17/h4-12,15-16,19H,13H2,1-3H3
InChIKey
JOKLUPQCOGAYQO-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C)CNC(c1ccccc1)C
Isomeric Smiles
N(C(c1ccccc1)C)CC(Oc1ccc(cc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3514565
LogD (pH = 7.4)
2.4577782
Log P
4.522216
Molar Refractivity
83.737
Polarizability
33.16328
Polar Surface Area
21.26
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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