Molecule

ID:127237

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₅
Molecular Mass
341.35786
Exact Mass
341.12632271
Charge
0
InChI
InChI=1S/C19H19NO5/c1-22-17-11-8-9-20-16-13-7-5-10(21)4-6-12(25-13)15(14(11)16)18(23-2)19(17)24-3/h6-10,21H,4-5H2,1-3H3
InChIKey
LRIBDPPXLMPCHW-UHFFFAOYSA-N
Canonic Smiles
COc1c2C3=CCC(O)CC=C(O3)c3c2c(c(c1OC)OC)ccn3
Isomeric Smiles
O(c1c2c3c(C4=CCC(CC=C(O4)c3ncc2)O)c(OC)c1OC)C
Calculated Properties
JChem
Acid pKa
15.140796
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
1.0904477
LogD (pH = 7.4)
1.0926682
Log P
1.0926965
Molar Refractivity
94.8313
Polarizability
36.89074
Polar Surface Area
70.04
Rotatable Bonds
3
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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