Molecule

ID:29179

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-13-8-10-17(11-9-13)20-16(4)12-19-18-14(2)6-5-7-15(18)3/h5-11,16,19H,12H2,1-4H3
InChIKey
LEUJZAUYWMVKCW-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C)CNc1c(C)cccc1C
Isomeric Smiles
N(c1c(cccc1C)C)CC(Oc1ccc(cc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0313797
LogD (pH = 7.4)
5.046714
Log P
5.0469127
Molar Refractivity
86.3464
Polarizability
32.60282
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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