Molecule

ID:83807

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₂O₄
Molecular Mass
374.42908
Exact Mass
374.15180918
Charge
0
InChI
InChI=1S/C24H22O4/c1-26-20-14-12-19(24(16-20)27-2)13-15-22(25)21-10-6-7-11-23(21)28-17-18-8-4-3-5-9-18/h3-16H,17H2,1-2H3
InChIKey
VPKGSTRWJBWEDN-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1/C=C/C(=O)c1ccccc1OCc1ccccc1
Isomeric Smiles
O(c1ccccc1C(=O)/C=C/c1ccc(cc1OC)OC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.059568
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
42.488243
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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