Molecule

ID:102868

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O₂
Molecular Mass
142.1558
Exact Mass
142.07422757
Charge
0
InChI
InChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)
InChIKey
WWISPHBAYBECQZ-UHFFFAOYSA-N
Canonic Smiles
CC1N=C(O)C(N=C1O)C
Isomeric Smiles
CC1N=C(O)C(C)N=C1O
Calculated Properties
JChem
Acid pKa
3.9998102
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-9.950825E-4
LogD (pH = 7.4)
-2.50352
Log P
0.14710307
Molar Refractivity
35.6382
Polarizability
13.4669485
Polar Surface Area
65.18
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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