Molecule

ID:65444

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO₃
Molecular Mass
297.34836
Exact Mass
297.13649347
Charge
0
InChI
InChI=1S/C18H19NO3/c1-4-22-17(20)10-9-16-11-15(12-19(16)3)18(21)14-7-5-13(2)6-8-14/h5-12H,4H2,1-3H3/b10-9+
InChIKey
BEAQNRVFELEUHY-MDZDMXLPSA-N
Canonic Smiles
CCOC(=O)/C=C/c1cc(cn1C)C(=O)c1ccc(cc1)C
Isomeric Smiles
c1(cn(c(c1)/C=C/C(=O)OCC)C)C(=O)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.068457
LogD (pH = 7.4)
4.068457
Log P
4.068457
Molar Refractivity
87.7273
Polarizability
33.01582
Polar Surface Area
48.3
Rotatable Bonds
6
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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