Molecule

ID:19080

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c1-7-3-5(4-8)2-6-7/h2-4H,1H3
InChIKey
MYFZXSOYJVWTBL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnn(c1)C
Isomeric Smiles
n1n(cc(c1)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.11358599
LogD (pH = 7.4)
0.113607936
Log P
0.11360822
Molar Refractivity
41.5454
Polarizability
10.824366
Polar Surface Area
34.89
Rotatable Bonds
1
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