Molecule

ID:117060

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₂
Molecular Mass
196.24624
Exact Mass
196.12117776
Charge
0
InChI
InChI=1S/C10H16N2O2/c1-6(2)9-10(14)12(7-3-4-7)5-8(13)11-9/h6-7,9H,3-5H2,1-2H3,(H,11,13)
InChIKey
PEZDFERBAHXJTH-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(C(C)C)C(=O)N(C1)C1CC1
Isomeric Smiles
N1(C(=O)C(NC(=O)C1)C(C)C)C1CC1
Calculated Properties
JChem
Acid pKa
11.406339
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.06506689
LogD (pH = 7.4)
-0.06510433
Log P
-0.06506641
Molar Refractivity
51.2044
Polarizability
20.1432
Polar Surface Area
49.41
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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