Molecule

ID:29104

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-13-8-7-9-16(15(13)3)19-12-14(2)21-18-11-6-5-10-17(18)20-4/h5-11,14,19H,12H2,1-4H3
InChIKey
WBLUGEQHLHAFHZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(CNc1cccc(c1C)C)C
Isomeric Smiles
c1(c(NCC(Oc2c(OC)cccc2)C)cccc1C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.3536334
LogD (pH = 7.4)
4.3755336
Log P
4.37582
Molar Refractivity
87.7684
Polarizability
33.328133
Polar Surface Area
30.49
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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