Molecule

ID:11668

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃O
Molecular Mass
123.1127
Exact Mass
123.0432618
Charge
0
InChI
InChI=1S/C5H5N3O/c6-5-7-1-4(3-9)2-8-5/h1-3H,(H2,6,7,8)
InChIKey
DPOYRRAYGKTRAU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(nc1)N
Isomeric Smiles
c1(ncc(cn1)C=O)N
Calculated Properties
JChem
Acid pKa
15.77306
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.38817346
LogD (pH = 7.4)
-0.38790554
Log P
-0.38790214
Molar Refractivity
33.9527
Polarizability
11.625025
Polar Surface Area
68.87
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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