Molecule

ID:82247

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀O₄
Molecular Mass
334.4498
Exact Mass
334.21440944
Charge
0
InChI
InChI=1S/C20H30O4/c1-6-7-8-9-12-20(2,3)15-13-17(23-4)16(10-11-19(21)22)18(14-15)24-5/h10-11,13-14H,6-9,12H2,1-5H3,(H,21,22)
InChIKey
UJYCGLMYDOOKND-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC(c1cc(OC)c(c(c1)OC)/C=C/C(=O)O)(C)C
Isomeric Smiles
O=C(/C=C/c1c(cc(cc1OC)C(CCCCCC)(C)C)OC)O
Calculated Properties
JChem
Acid pKa
4.3298073
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.391946
LogD (pH = 7.4)
2.6475508
Log P
5.5886436
Molar Refractivity
97.6572
Polarizability
37.723827
Polar Surface Area
55.76
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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