Molecule

ID:71835

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c9-3-1-2-6-4-7-8-5-6/h4-5,9H,1-3H2,(H,7,8)
InChIKey
LGBRAJDGWUXFBO-UHFFFAOYSA-N
Canonic Smiles
OCCCc1c[nH]nc1
Isomeric Smiles
[nH]1ncc(c1)CCCO
Calculated Properties
JChem
Acid pKa
15.473609
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.24313976
LogD (pH = 7.4)
0.24330777
Log P
0.24330992
Molar Refractivity
35.9173
Polarizability
13.212111
Polar Surface Area
48.91
Rotatable Bonds
3
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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