Molecule

ID:56006

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄O₄
Molecular Mass
316.39146
Exact Mass
316.16745925
Charge
0
InChI
InChI=1S/C19H24O4/c1-22-15-4-3-14(6-16(15)23-2)18-7-12-5-13(8-18)10-19(9-12,11-18)17(20)21/h3-4,6,12-13H,5,7-11H2,1-2H3,(H,20,21)
InChIKey
JWSIHEWTCURFRH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)C12CC3CC(C1)CC(C2)(C3)C(=O)O
Isomeric Smiles
C12(CC3(c4cc(c(cc4)OC)OC)CC(C2)CC(C1)C3)C(=O)O
Calculated Properties
JChem
Acid pKa
4.031776
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.019286
LogD (pH = 7.4)
0.35772362
Log P
3.4982848
Molar Refractivity
85.8848
Polarizability
33.95197
Polar Surface Area
55.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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