Molecule

ID:50611

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆N₂O₅
Molecular Mass
328.31934
Exact Mass
328.10592162
Charge
0
InChI
InChI=1S/C17H16N2O5/c1-22-12-5-3-11(4-6-12)9-19-14-8-7-13(17(21)23-2)18-16(14)24-10-15(19)20/h3-8H,9-10H2,1-2H3
InChIKey
VCMOVOZPHNAFDV-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CN1C(=O)COc2c1ccc(n2)C(=O)OC
Isomeric Smiles
c1(ccc2c(n1)OCC(=O)N2Cc1ccc(cc1)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.7515941
LogD (pH = 7.4)
1.7515943
Log P
1.7515943
Molar Refractivity
84.8267
Polarizability
32.69738
Polar Surface Area
77.96
Rotatable Bonds
5
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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