Molecule
ID:50418
General Information
Molecular Formula
C₆H₁₂N₂O₂
Molecular Mass
144.17168
Exact Mass
144.08987763
Charge
0
InChI
InChI=1S/C6H12N2O2/c7-2-1-6(10)8-3-5(9)4-8/h5,9H,1-4,7H2
InChIKey
CXWISQYTNLGJFY-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N1CC(C1)O
Isomeric Smiles
N1(C(=O)CCN)CC(C1)O
Calculated Properties
JChem
Acid pKa
14.755848
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.0059648
LogD (pH = 7.4)
-3.7832267
Log P
-2.0719132
Molar Refractivity
36.3119
Polarizability
14.451455
Polar Surface Area
66.56
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
No Data Available
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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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