Molecule

ID:40828

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO₂
Molecular Mass
279.33308
Exact Mass
279.12592879
Charge
0
InChI
InChI=1S/C18H17NO2/c1-3-21-18(20)17-15(14-9-7-13(2)8-10-14)12-19-11-5-4-6-16(17)19/h4-12H,3H2,1-2H3
InChIKey
JWLUGUDRRNOLMC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(cn2c1cccc2)c1ccc(cc1)C
Isomeric Smiles
c1(c(cn2c1cccc2)c1ccc(cc1)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1306915
LogD (pH = 7.4)
4.1306915
Log P
4.1306915
Molar Refractivity
85.092
Polarizability
33.914906
Polar Surface Area
30.71
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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