Molecule

ID:51657

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₅
Molecular Mass
304.29794
Exact Mass
304.10592162
Charge
0
InChI
InChI=1S/C15H16N2O5/c1-15(2,3)22-14(20)17-7-10(13(19)21-4)11-9(8-18)5-6-16-12(11)17/h5-8H,1-4H3
InChIKey
GVFBOMUFVCYKOX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cn(c2c1c(C=O)ccn2)C(=O)OC(C)(C)C
Isomeric Smiles
c1cnc2c(c1C=O)c(cn2C(=O)OC(C)(C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9308363
LogD (pH = 7.4)
1.9308367
Log P
1.9308367
Molar Refractivity
78.249
Polarizability
30.316236
Polar Surface Area
87.49
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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