Molecule

ID:117366

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c11-8(7-1-2-7)10-5-3-9-4-6-10/h7,9H,1-6H2
InChIKey
KIALFUYSJAAJSU-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)N1CCNCC1
Isomeric Smiles
C(=O)(C1CC1)N1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6139503
LogD (pH = 7.4)
-0.8998991
Log P
-0.33906832
Molar Refractivity
42.4139
Polarizability
16.74643
Polar Surface Area
32.34
Rotatable Bonds
1
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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