Molecule
ID:18263
General Information
Molecular Formula
C₉H₉N₃O₃
Molecular Mass
207.18606
Exact Mass
207.06439116
Charge
0
InChI
InChI=1S/C9H9N3O3/c10-5-1-2-6-7(3-5)15-9(14)12(6)4-8(11)13/h1-3H,4,10H2,(H2,11,13)
InChIKey
MWVDQACCXLYDHT-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Cn1c(=O)oc2c1ccc(c2)N
Isomeric Smiles
n1(c(=O)oc2c1ccc(c2)N)CC(=O)N
Calculated Properties
JChem
Acid pKa
15.092055
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.96323854
LogD (pH = 7.4)
-0.96220577
Log P
-0.9621926
Molar Refractivity
51.9873
Polarizability
19.433517
Polar Surface Area
98.65
Rotatable Bonds
2
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
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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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