Molecule

ID:61366

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-2-8-4-3-7-6(8)5-9/h3-4,9H,2,5H2,1H3
InChIKey
QYEQHVNOKQUFFM-UHFFFAOYSA-N
Canonic Smiles
OCc1nccn1CC
Isomeric Smiles
c1(n(ccn1)CC)CO
Calculated Properties
JChem
Acid pKa
14.004303
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.65013415
LogD (pH = 7.4)
-0.2680426
Log P
-0.2589235
Molar Refractivity
34.801
Polarizability
13.211992
Polar Surface Area
38.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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