Molecule

ID:78437

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₃
Molecular Mass
268.30714
Exact Mass
268.10994437
Charge
0
InChI
InChI=1S/C17H16O3/c1-12(2)20-17(19)15-8-6-14(7-9-15)16-5-3-4-13(10-16)11-18/h3-12H,1-2H3
InChIKey
LFVMGXBSYOBJSG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1ccc(cc1)C(=O)OC(C)C
Isomeric Smiles
O=C(c1ccc(cc1)c1cccc(c1)C=O)OC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1098332
LogD (pH = 7.4)
4.1098332
Log P
4.1098332
Molar Refractivity
78.9709
Polarizability
31.297009
Polar Surface Area
43.37
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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