Molecule

ID:67014

General Information
Structure
Molecular Formula
C₄H₄N₂O
Molecular Mass
96.08736
Exact Mass
96.03236276
Charge
0
InChI
InChI=1S/C4H4N2O/c7-4-3-5-1-2-6-4/h1-3H,(H,6,7)
InChIKey
HUTNOYOBQPAKIA-UHFFFAOYSA-N
Canonic Smiles
Oc1cnccn1
Isomeric Smiles
c1(cnccn1)O
Calculated Properties
JChem
Acid pKa
10.899866
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.17121574
LogD (pH = 7.4)
-0.17134236
Log P
-0.17120683
Molar Refractivity
24.0386
Polarizability
9.1760025
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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