Molecule

ID:57595

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c1-5-6(4-9)3-7-8(5)2/h3,9H,4H2,1-2H3
InChIKey
ZLKFGFIBRVAIDL-UHFFFAOYSA-N
Canonic Smiles
OCc1cnn(c1C)C
Isomeric Smiles
n1(c(c(cn1)CO)C)C
Calculated Properties
JChem
Acid pKa
14.645118
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.16688198
LogD (pH = 7.4)
-0.1666851
Log P
-0.16668257
Molar Refractivity
46.927
Polarizability
13.12803
Polar Surface Area
38.05
Rotatable Bonds
1
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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