Molecule

ID:67803

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c6-4-1-5(8)3-7-2-4/h1-3,8H,6H2
InChIKey
YZSGZMGPVYECOU-UHFFFAOYSA-N
Canonic Smiles
Nc1cncc(c1)O
Isomeric Smiles
c1c(cc(cn1)O)N
Calculated Properties
JChem
Acid pKa
8.995615
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.76930225
LogD (pH = 7.4)
-0.39753887
Log P
-0.3769179
Molar Refractivity
30.5824
Polarizability
11.186788
Polar Surface Area
59.14
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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