Molecule

ID:29490

General Information
Structure
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-4-20-18-7-5-6-16(12-18)19-13-15-8-10-17(11-9-15)21-14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKey
DFNKTTNKLOYKAR-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)NCc1ccc(cc1)OC(C)C
Isomeric Smiles
N(c1cc(OCC)ccc1)Cc1ccc(OC(C)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.9813046
LogD (pH = 7.4)
3.9852943
Log P
3.9853454
Molar Refractivity
87.7068
Polarizability
33.47979
Polar Surface Area
30.49
Rotatable Bonds
7
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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