Molecule
ID:119972
General Information
Molecular Formula
C₁₅H₁₈N₂O₅
Molecular Mass
306.31382
Exact Mass
306.12157169
Charge
0
InChI
InChI=1S/C15H18N2O5/c1-4-22-14(18)5-6-17-9-16-11-8-13(21-3)12(20-2)7-10(11)15(17)19/h7-9H,4-6H2,1-3H3
InChIKey
PIYJNSMBXIGDBH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCn1cnc2c(c1=O)cc(c(c2)OC)OC
Isomeric Smiles
c12c(=O)n(cnc1cc(c(c2)OC)OC)CCC(=O)OCC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
0.8497529
LogD (pH = 7.4)
0.8507605
Log P
0.8507734
Molar Refractivity
81.0242
Polarizability
30.077631
Polar Surface Area
77.43
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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