Molecule

ID:66304

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₃
Molecular Mass
259.30038
Exact Mass
259.12084341
Charge
0
InChI
InChI=1S/C15H17NO3/c1-10-5-6-13-12(7-10)11(9-17)8-16(13)14(18)19-15(2,3)4/h5-9H,1-4H3
InChIKey
FZPLYFQLNOVYNL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cc(C)cc2)C(=O)OC(C)(C)C
Isomeric Smiles
n1(cc(c2cc(ccc12)C)C=O)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2909915
LogD (pH = 7.4)
3.2909915
Log P
3.2909915
Molar Refractivity
73.4692
Polarizability
29.149776
Polar Surface Area
48.3
Rotatable Bonds
3
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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