Molecule

ID:85615

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)6-7-3/h2H,1H3,(H2,5,6)
InChIKey
FKPXGNGUVSHWQQ-UHFFFAOYSA-N
Canonic Smiles
Nc1noc(c1)C
Isomeric Smiles
n1c(cc(o1)C)N
Calculated Properties
JChem
Acid pKa
17.824781
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.30250248
LogD (pH = 7.4)
0.3028793
Log P
0.3028841
Molar Refractivity
27.6636
Polarizability
9.255744
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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