Molecule

ID:62757

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-10(2)8(11)7-5-9-3-4-12-6-7/h7,9H,3-6H2,1-2H3
InChIKey
BJIHIPDTTHLJFL-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CNCCOC1)N(C)C
Isomeric Smiles
C(=O)(C1CNCCOC1)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.149297
LogD (pH = 7.4)
-2.6898
Log P
-1.1036562
Molar Refractivity
46.2244
Polarizability
18.182564
Polar Surface Area
41.57
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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