Molecule

ID:53583

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c11-9(13)7-3-5-12(6-4-7)10(14)8-1-2-8/h7-8H,1-6H2,(H2,11,13)
InChIKey
CIVUVCUPZGVLIW-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)N1CCC(CC1)C(=O)N
Isomeric Smiles
C(=O)(N1CCC(C(=O)N)CC1)C1CC1
Calculated Properties
JChem
Acid pKa
16.32602
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5369735
LogD (pH = 7.4)
-0.536972
Log P
-0.5369719
Molar Refractivity
51.8626
Polarizability
20.1432
Polar Surface Area
63.4
Rotatable Bonds
2
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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