Molecule

ID:60928

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂O
Molecular Mass
154.20956
Exact Mass
154.11061308
Charge
0
InChI
InChI=1S/C8H14N2O/c1-6(2)3-4-7-5-8(11)10-9-7/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey
VRKIDYYMSITXCL-UHFFFAOYSA-N
Canonic Smiles
CC(CCC1=NNC(=O)C1)C
Isomeric Smiles
N1=C(CC(=O)N1)CCC(C)C
Calculated Properties
JChem
Acid pKa
11.762557
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5216513
LogD (pH = 7.4)
1.5217401
Log P
1.5217584
Molar Refractivity
43.1957
Polarizability
16.676847
Polar Surface Area
41.46
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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