Molecule

ID:60351

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂O
Molecular Mass
110.11394
Exact Mass
110.04801282
Charge
0
InChI
InChI=1S/C5H6N2O/c1-4-5(3-8)2-6-7-4/h2-3H,1H3,(H,6,7)
InChIKey
NWDMGTFNIOCVDU-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C=O)cn[nH]1
Isomeric Smiles
[nH]1c(c(cn1)C=O)C
Calculated Properties
JChem
Acid pKa
11.686186
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.1209909
LogD (pH = 7.4)
0.1212761
Log P
0.12130232
Molar Refractivity
30.9209
Polarizability
10.825029
Polar Surface Area
45.75
Rotatable Bonds
1
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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