Molecule

ID:67951

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂O
Molecular Mass
98.10324
Exact Mass
98.04801282
Charge
0
InChI
InChI=1S/C4H6N2O/c1-3-2-4(7)6-5-3/h2H2,1H3,(H,6,7)
InChIKey
NHLAPJMCARJFOG-UHFFFAOYSA-N
Canonic Smiles
O=C1NN=C(C1)C
Isomeric Smiles
N1N=C(CC1=O)C
Calculated Properties
JChem
Acid pKa
11.785772
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.35498333
LogD (pH = 7.4)
-0.3549505
Log P
-0.3549339
Molar Refractivity
24.8182
Polarizability
9.351745
Polar Surface Area
41.46
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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