Molecule

ID:83285

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₂O₄
Molecular Mass
374.42908
Exact Mass
374.15180918
Charge
0
InChI
InChI=1S/C24H22O4/c1-26-21-13-14-22(24(16-21)27-2)23(25)15-10-18-8-11-20(12-9-18)28-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3
InChIKey
LGONKLASQBMSBA-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1C(=O)/C=C/c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O=C(c1c(cc(cc1)OC)OC)/C=C/c1ccc(cc1)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
16.780113
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.1417847
LogD (pH = 7.4)
5.1417847
Log P
5.1417847
Molar Refractivity
110.8792
Polarizability
42.48621
Polar Surface Area
44.76
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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