Molecule

ID:6970

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(5)7-6-3/h2H,5H2,1H3
InChIKey
FNXYWHTZDAVRTB-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(c1)N
Isomeric Smiles
c1c(noc1N)C
Calculated Properties
JChem
Acid pKa
16.047363
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.27156568
LogD (pH = 7.4)
-0.27048734
Log P
-0.27047357
Molar Refractivity
26.0452
Polarizability
9.258993
Polar Surface Area
52.05
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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