Molecule
ID:83567
General Information
Molecular Formula
C₂₄H₂₂O₄
Molecular Mass
374.42908
Exact Mass
374.15180918
Charge
0
InChI
InChI=1S/C24H22O4/c1-26-20-14-11-18(12-15-20)13-16-21(25)24-22(27-2)9-6-10-23(24)28-17-19-7-4-3-5-8-19/h3-16H,17H2,1-2H3
InChIKey
GLBABBUTLSCQDL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)/C=C\C(=O)c1c(OC)cccc1OCc1ccccc1
Isomeric Smiles
O(c1cccc(c1C(=O)/C=C\c1ccc(cc1)OC)OC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
16.13707
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
42.488853
Polar Surface Area
44.76
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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