Molecule

ID:40505

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₃
Molecular Mass
268.30714
Exact Mass
268.10994437
Charge
0
InChI
InChI=1S/C17H16O3/c1-12-9-13(2)11-15(10-12)20-16-6-4-3-5-14(16)7-8-17(18)19/h3-11H,1-2H3,(H,18,19)/b8-7+
InChIKey
UKEFOBQXMYMYDC-BQYQJAHWSA-N
Canonic Smiles
OC(=O)/C=C/c1ccccc1Oc1cc(C)cc(c1)C
Isomeric Smiles
C(=C\C(=O)O)/c1c(Oc2cc(cc(c2)C)C)cccc1
Calculated Properties
JChem
Acid pKa
3.8091166
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9698255
LogD (pH = 7.4)
1.4050441
Log P
4.663216
Molar Refractivity
79.3831
Polarizability
30.052414
Polar Surface Area
46.53
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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