Molecule

ID:43060

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5-9-10/h9H,4-6H2,1-3H3
InChIKey
MYFMFEXSUJUPEC-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCN1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1NCCC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6745864
LogD (pH = 7.4)
0.68217605
Log P
0.6822737
Molar Refractivity
56.4998
Polarizability
18.085934
Polar Surface Area
41.57
Rotatable Bonds
2
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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