Molecule

ID:34709

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3
InChIKey
GQQQULCEHJQUJT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N1CCC(CC1)N
Isomeric Smiles
N1(C(=O)OCC)CCC(CC1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4134831
LogD (pH = 7.4)
-2.844489
Log P
-0.3956593
Molar Refractivity
46.0133
Polarizability
18.182564
Polar Surface Area
55.56
Rotatable Bonds
2
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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