Molecule

ID:84014

General Information
Structure
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c1-3-5-11-7-8(12-6-4-2)10(14)9(7)13/h11-12H,3-6H2,1-2H3
InChIKey
UTZZNRIBRJQNQK-UHFFFAOYSA-N
Canonic Smiles
CCCNC1=C(NCCC)C(=O)C1=O
Isomeric Smiles
O=C1C(=C(C1=O)NCCC)NCCC
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1134208
LogD (pH = 7.4)
1.1134208
Log P
1.1134208
Molar Refractivity
56.2046
Polarizability
20.613222
Polar Surface Area
58.2
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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