Molecule

ID:75895

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c1-10(2)8(7-9)3-5-11-6-4-8/h3-6H2,1-2H3
InChIKey
FDGOISRHLNMQRE-UHFFFAOYSA-N
Canonic Smiles
CN(C1(CCOCC1)C#N)C
Isomeric Smiles
O1CCC(CC1)(C#N)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.73869705
LogD (pH = 7.4)
-0.10336161
Log P
-0.08456511
Molar Refractivity
43.5673
Polarizability
16.800053
Polar Surface Area
36.26
Rotatable Bonds
1
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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