Molecule
ID:80889
General Information
Molecular Formula
C₂₃H₂₈O₄
Molecular Mass
368.46602
Exact Mass
368.19875938
Charge
0
InChI
InChI=1S/C23H28O4/c1-13-14(2)16(4)22(17(5)15(13)3)19(24)10-9-18-11-20(25-6)23(27-8)21(12-18)26-7/h9-12H,1-8H3
InChIKey
CEPCRJJULVOLEM-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)c2c(C)c(C)c(c(c2C)C)C)cc(c1OC)OC
Isomeric Smiles
O=C(c1c(c(c(c(c1C)C)C)C)C)/C=C/c1cc(c(c(c1)OC)OC)OC
Calculated Properties
JChem
Acid pKa
17.18605
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.9844184
LogD (pH = 7.4)
5.9844184
Log P
5.9844184
Molar Refractivity
111.4726
Polarizability
41.709618
Polar Surface Area
44.76
Rotatable Bonds
6
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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