Molecule

ID:86334

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₂
Molecular Mass
285.38072
Exact Mass
285.17287898
Charge
0
InChI
InChI=1S/C18H23NO2/c1-6-21-17(20)15-12-16(18(3,4)5)19(13(15)2)14-10-8-7-9-11-14/h7-12H,6H2,1-5H3
InChIKey
WOPQCXBFULUHAL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(n(c1C)c1ccccc1)C(C)(C)C
Isomeric Smiles
n1(c2ccccc2)c(c(cc1C(C)(C)C)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4578
LogD (pH = 7.4)
4.4578
Log P
4.4578
Molar Refractivity
96.2774
Polarizability
33.647617
Polar Surface Area
31.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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