Molecule
ID:123451
General Information
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-9-3-2-8(11)10-4-6-12-7-5-10/h9H,2-7H2,1H3
InChIKey
IMAMKARUKQLJAD-UHFFFAOYSA-N
Canonic Smiles
CNCCC(=O)N1CCOCC1
Isomeric Smiles
C(=O)(N1CCOCC1)CCNC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.2451134
LogD (pH = 7.4)
-3.2477684
Log P
-1.0559734
Molar Refractivity
46.1675
Polarizability
18.182564
Polar Surface Area
41.57
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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