Molecule

ID:87520

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O₃
Molecular Mass
235.23922
Exact Mass
235.09569129
Charge
0
InChI
InChI=1S/C11H13N3O3/c1-6-8-9(16-3)7(11(15)17-4)5-12-10(8)14(2)13-6/h5H,1-4H3
InChIKey
DLYCSEPLRFHSOD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc2c(c1OC)c(C)nn2C
Isomeric Smiles
n1c(c2c(ncc(c2OC)C(=O)OC)n1C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.54683125
LogD (pH = 7.4)
0.5469478
Log P
0.54694927
Molar Refractivity
72.1648
Polarizability
23.594578
Polar Surface Area
66.24
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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