Molecule
ID:83286
General Information
Molecular Formula
C₁₈H₁₆O₆
Molecular Mass
328.31604
Exact Mass
328.09468823
Charge
0
InChI
InChI=1S/C18H16O6/c1-20-12-5-3-10(7-14(12)21-2)16(19)18-17(24-18)11-4-6-13-15(8-11)23-9-22-13/h3-8,17-18H,9H2,1-2H3
InChIKey
FWQVZPHZWBGRQU-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)C(=O)C1OC1c1ccc2c(c1)OCO2
Isomeric Smiles
O1C(C1c1ccc2c(c1)OCO2)C(=O)c1ccc(c(c1)OC)OC
Calculated Properties
JChem
Acid pKa
15.869385
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
2.4893343
LogD (pH = 7.4)
2.4893343
Log P
2.4893343
Molar Refractivity
83.6666
Polarizability
32.99951
Polar Surface Area
66.52
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...