Molecule

ID:37941

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c1-6(2)3-8-4-7(5-9)10-11-8/h4,6H,3,5,9H2,1-2H3
InChIKey
HGYSMQSHSYGZGG-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(c1)CC(C)C
Isomeric Smiles
n1oc(cc1CN)CC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4890105
LogD (pH = 7.4)
0.19511043
Log P
0.998703
Molar Refractivity
44.2745
Polarizability
16.962559
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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