Molecule

ID:29244

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-14(2)16-9-11-18(12-10-16)20-15(3)13-19-17-7-5-4-6-8-17/h4-12,14-15,19H,13H2,1-3H3
InChIKey
RWEDKIFTTVHXHC-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(C)C)CNc1ccccc1
Isomeric Smiles
c1(ccc(OC(CNc2ccccc2)C)cc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.7315593
LogD (pH = 7.4)
4.7513986
Log P
4.751658
Molar Refractivity
85.4136
Polarizability
32.762047
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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