Molecule

ID:67904

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c1-4-6-2-5(8)3-7-4/h2-3,8H,1H3
InChIKey
OHFVPBGSKPYIED-UHFFFAOYSA-N
Canonic Smiles
Oc1cnc(nc1)C
Isomeric Smiles
c1(ncc(cn1)O)C
Calculated Properties
JChem
Acid pKa
8.922447
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.27466965
LogD (pH = 7.4)
0.2628287
Log P
0.2752722
Molar Refractivity
29.3276
Polarizability
10.932041
Polar Surface Area
46.01
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation