Molecule

ID:33367

General Information
Structure
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-6(5-9)8-4-2-3-7-8/h2-4,6,9H,5H2,1H3
InChIKey
CMPLWMNHSXWAPK-UHFFFAOYSA-N
Canonic Smiles
OCC(n1cccn1)C
Isomeric Smiles
n1(nccc1)C(CO)C
Calculated Properties
JChem
Acid pKa
14.949151
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.12745734
LogD (pH = 7.4)
0.12757735
Log P
0.12757888
Molar Refractivity
45.6725
Polarizability
13.209418
Polar Surface Area
38.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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