Molecule

ID:28187

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N₇O₃
Molecular Mass
293.2819
Exact Mass
293.12363738
Charge
0
InChI
InChI=1S/C11H15N7O3/c12-9-10(15-21-14-9)18-7(8(11(19)20)13-16-18)6-17-4-2-1-3-5-17/h1-6H2,(H2,12,14)(H,19,20)
InChIKey
MVJHPSJKLKQRHR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nnn(c1CN1CCCCC1)c1nonc1N
Isomeric Smiles
n1(c(c(nn1)C(=O)O)CN1CCCCC1)c1c(non1)N
Calculated Properties
JChem
Acid pKa
2.5361426
H Acceptors
8
H Donor
2
LogD (pH = 5.5)
-2.3437853
LogD (pH = 7.4)
-2.6153562
Log P
-2.340676
Molar Refractivity
75.9211
Polarizability
26.536407
Polar Surface Area
136.19
Rotatable Bonds
4
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
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Molecule Details
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References
Bioactivity
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