Molecule

ID:83809

General Information
Structure
Molecular Formula
C₂₄H₂₂O₄
Molecular Mass
374.42908
Exact Mass
374.15180918
Charge
0
InChI
InChI=1S/C24H22O4/c1-26-23-15-13-18(16-24(23)27-2)12-14-21(25)20-10-6-7-11-22(20)28-17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3
InChIKey
MISYPOXVTAJJML-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)c2ccccc2OCc2ccccc2)ccc1OC
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/c1ccc(c(c1)OC)OC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.453993
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
42.488293
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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