Molecule

ID:40289

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO₃
Molecular Mass
295.33248
Exact Mass
295.12084341
Charge
0
InChI
InChI=1S/C18H17NO3/c1-3-22-18(20)17-15(12-19-11-5-4-6-16(17)19)13-7-9-14(21-2)10-8-13/h4-12H,3H2,1-2H3
InChIKey
ABHJVAZWQJYWSZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(cn2c1cccc2)c1ccc(cc1)OC
Isomeric Smiles
c1(c(cn2c1cccc2)c1ccc(cc1)OC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4595988
LogD (pH = 7.4)
3.4595988
Log P
3.4595988
Molar Refractivity
86.514
Polarizability
34.62392
Polar Surface Area
39.94
Rotatable Bonds
5
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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