Molecule
ID:123257
General Information
Molecular Formula
C₆H₁₀N₂O₂
Molecular Mass
142.1558
Exact Mass
142.07422757
Charge
0
InChI
InChI=1S/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h5,9H,2-3H2,1H3,(H,8,10)
InChIKey
GCKLKGJKIRVDQB-UHFFFAOYSA-N
Canonic Smiles
OCCC1C(=NNC1=O)C
Isomeric Smiles
N1=C(C(C(=O)N1)CCO)C
Calculated Properties
JChem
Acid pKa
11.667623
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.80409485
LogD (pH = 7.4)
-0.80407935
Log P
-0.80405754
Molar Refractivity
35.9224
Polarizability
13.676547
Polar Surface Area
61.69
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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