Molecule

ID:17532

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-2-9-3-5-10(6-4-9)7-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey
WUEHSFSWKSCHCK-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)CC(=O)O
Isomeric Smiles
N1(CCN(CC1)CC)CC(=O)O
Calculated Properties
JChem
Acid pKa
1.1195705
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.855768
LogD (pH = 7.4)
-2.8574903
Log P
-2.8507254
Molar Refractivity
46.8714
Polarizability
18.314745
Polar Surface Area
43.78
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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