Molecule

ID:65551

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅N₃O₄
Molecular Mass
277.2759
Exact Mass
277.10625598
Charge
0
InChI
InChI=1S/C13H15N3O4/c1-13(2,3)20-12(18)16-10-8(7-15-16)5-9(6-14-10)11(17)19-4/h5-7H,1-4H3
InChIKey
MTBRBUYOTCUDQQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc2c(c1)cnn2C(=O)OC(C)(C)C
Isomeric Smiles
c1(cnc2c(c1)cnn2C(=O)OC(C)(C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4426341
LogD (pH = 7.4)
1.4426342
Log P
1.4426342
Molar Refractivity
70.5936
Polarizability
27.531126
Polar Surface Area
83.31
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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