Molecule
ID:84252
General Information
Molecular Formula
C₆H₁₂N₂O₂
Molecular Mass
144.17168
Exact Mass
144.08987763
Charge
0
InChI
InChI=1S/C6H12N2O2/c7-6(9)5-8-1-3-10-4-2-8/h1-5H2,(H2,7,9)
InChIKey
BWRNWWSQZROEOA-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CN1CCOCC1
Isomeric Smiles
N1(CC(=O)N)CCOCC1
Calculated Properties
JChem
Acid pKa
16.150282
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7945675
LogD (pH = 7.4)
-1.36669
Log P
-1.3572903
Molar Refractivity
36.9694
Polarizability
14.520407
Polar Surface Area
55.56
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
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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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