Molecule
ID:62749
General Information
Molecular Formula
C₆H₁₂N₂O₂
Molecular Mass
144.17168
Exact Mass
144.08987763
Charge
0
InChI
InChI=1S/C6H12N2O2/c7-6(9)5-3-8-1-2-10-4-5/h5,8H,1-4H2,(H2,7,9)
InChIKey
UFTBYQDZAWIOOM-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CNCCOC1
Isomeric Smiles
C(=O)(C1CNCCOC1)N
Calculated Properties
JChem
Acid pKa
16.291327
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.5969024
LogD (pH = 7.4)
-3.1378164
Log P
-1.5510083
Molar Refractivity
36.431
Polarizability
14.520407
Polar Surface Area
64.35
Rotatable Bonds
1
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
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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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