Molecule

ID:41190

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂O
Molecular Mass
126.1564
Exact Mass
126.07931295
Charge
0
InChI
InChI=1S/C6H10N2O/c7-6(9)5-2-1-3-8-4-5/h4,8H,1-3H2,(H2,7,9)
InChIKey
QTNLWTQXBGSWMD-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1=CNCCC1
Isomeric Smiles
C1(=CNCCC1)C(=O)N
Calculated Properties
JChem
Acid pKa
16.495266
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.0778823
LogD (pH = 7.4)
-0.7098752
Log P
-0.702422
Molar Refractivity
34.7499
Polarizability
13.168321
Polar Surface Area
55.12
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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