Molecule

ID:84684

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈O₄
Molecular Mass
298.33312
Exact Mass
298.12050906
Charge
0
InChI
InChI=1S/C18H18O4/c1-20-15-8-6-14(7-9-15)16(19)10-4-13-5-11-17(21-2)18(12-13)22-3/h4-12H,1-3H3
InChIKey
OOINNLCMWQHXGE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/c1ccc(c(c1)OC)OC
Isomeric Smiles
O=C(c1ccc(cc1)OC)/C=C/c1ccc(c(c1)OC)OC
Calculated Properties
JChem
Acid pKa
17.12261
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4173114
LogD (pH = 7.4)
3.4173114
Log P
3.4173114
Molar Refractivity
86.2666
Polarizability
32.880947
Polar Surface Area
44.76
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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