Molecule

ID:54750

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₄
Molecular Mass
275.29978
Exact Mass
275.11575803
Charge
0
InChI
InChI=1S/C15H17NO4/c1-5-19-15(18)14-9(2)16(4)13-7-6-11(8-12(13)14)20-10(3)17/h6-8H,5H2,1-4H3
InChIKey
AEWNSBCPMQKSLN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(C)n(c2c1cc(cc2)OC(=O)C)C
Isomeric Smiles
c1(c(n(c2c1cc(OC(=O)C)cc2)C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4627912
LogD (pH = 7.4)
2.4627912
Log P
2.4627912
Molar Refractivity
75.0972
Polarizability
29.750435
Polar Surface Area
57.53
Rotatable Bonds
5
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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