Molecule

ID:24974

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c1-6-8(4-3-5-9)7(2)11-10-6/h3-5,9H2,1-2H3
InChIKey
UUEBWEMWWZLONV-UHFFFAOYSA-N
Canonic Smiles
NCCCc1c(C)noc1C
Isomeric Smiles
n1oc(c(c1C)CCCN)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4923427
LogD (pH = 7.4)
-1.9697593
Log P
0.527721
Molar Refractivity
45.0706
Polarizability
16.809742
Polar Surface Area
52.05
Rotatable Bonds
3
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
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References
Bioactivity
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