Molecule

ID:110572

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄N₂O
Molecular Mass
118.17746
Exact Mass
118.11061308
Charge
0
InChI
InChI=1S/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3
InChIKey
CWKVFRNCODQPDB-UHFFFAOYSA-N
Canonic Smiles
NCCNCC(O)C
Isomeric Smiles
CC(O)CNCCN
Calculated Properties
JChem
Acid pKa
15.296548
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-5.9393234
LogD (pH = 7.4)
-3.7337942
Log P
-1.2633892
Molar Refractivity
33.3543
Polarizability
13.610921
Polar Surface Area
58.28
Rotatable Bonds
4
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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