Molecule

ID:64295

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O₃
Molecular Mass
142.11274
Exact Mass
142.03784206
Charge
0
InChI
InChI=1S/C5H6N2O3/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3,(H2,6,7)
InChIKey
VQBWVCIAVLMOOS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(o1)N
Isomeric Smiles
c1(oc(nc1)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
13.2492895
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.30606627
LogD (pH = 7.4)
-0.3060613
Log P
-0.30606067
Molar Refractivity
32.8439
Polarizability
12.064893
Polar Surface Area
78.35
Rotatable Bonds
2
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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