Molecule

ID:84864

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₄
Molecular Mass
284.30654
Exact Mass
284.10485899
Charge
0
InChI
InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3
InChIKey
MFLSRHQHCDTOGH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OC
Isomeric Smiles
O=C(c1c(cccc1)O)/C=C/c1cc(c(cc1)OC)OC
Calculated Properties
JChem
Acid pKa
8.194441
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.920547
LogD (pH = 7.4)
3.8572595
Log P
3.9214175
Molar Refractivity
81.7843
Polarizability
30.969595
Polar Surface Area
55.76
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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