Molecule

ID:50414

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c11-8(6-2-1-3-6)10-7-4-9-5-7/h6-7,9H,1-5H2,(H,10,11)
InChIKey
OEPQLGXNHWNVRG-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCC1)NC1CNC1
Isomeric Smiles
C(=O)(NC1CNC1)C1CCC1
Calculated Properties
JChem
Acid pKa
15.782266
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.1494105
LogD (pH = 7.4)
-1.7763449
Log P
-0.058408663
Molar Refractivity
41.7884
Polarizability
16.74643
Polar Surface Area
41.13
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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