Molecule

ID:80061

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₀O₃
Molecular Mass
368.4245
Exact Mass
368.1412445
Charge
0
InChI
InChI=1S/C25H20O3/c1-27-19-11-12-23(25(16-19)28-2)24(26)14-13-22-20-9-5-3-7-17(20)15-18-8-4-6-10-21(18)22/h3-16H,1-2H3
InChIKey
YTDPBEBARFKJBX-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1C(=O)/C=C/c1c2ccccc2cc2c1cccc2
Isomeric Smiles
O=C(c1ccc(cc1OC)OC)/C=C/c1c2c(cc3ccccc13)cccc2
Calculated Properties
JChem
Acid pKa
16.152494
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.5539365
LogD (pH = 7.4)
5.5539365
Log P
5.5539365
Molar Refractivity
112.7038
Polarizability
45.53983
Polar Surface Area
35.53
Rotatable Bonds
5
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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