Molecule

ID:40187

General Information
Structure
Molecular Formula
C₁₅H₁₇NO₄
Molecular Mass
275.29978
Exact Mass
275.11575803
Charge
0
InChI
InChI=1S/C15H17NO4/c1-15(2,3)20-14(18)16-8-10(9-17)12-7-11(19-4)5-6-13(12)16/h5-9H,1-4H3
InChIKey
RVKRRKYBGKPJDF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cc(OC)cc2)C(=O)OC(C)(C)C
Isomeric Smiles
n1(C(=O)OC(C)(C)C)cc(c2c1ccc(c2)OC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6198988
LogD (pH = 7.4)
2.6198988
Log P
2.6198988
Molar Refractivity
74.8912
Polarizability
29.900736
Polar Surface Area
57.53
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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