Molecule

ID:57994

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₂
Molecular Mass
182.21966
Exact Mass
182.1055277
Charge
0
InChI
InChI=1S/C9H14N2O2/c1-9(2)3-5(12)7(8(10)11)6(13)4-9/h3-4,10-11H2,1-2H3
InChIKey
LIDGPSWCXXAQPV-UHFFFAOYSA-N
Canonic Smiles
NC(=C1C(=O)CC(CC1=O)(C)C)N
Isomeric Smiles
C1(=C(N)N)C(=O)CC(CC1=O)(C)C
Calculated Properties
JChem
Acid pKa
18.64206
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.2703654
LogD (pH = 7.4)
0.27256393
Log P
0.27259204
Molar Refractivity
58.9134
Polarizability
18.779694
Polar Surface Area
86.18
Rotatable Bonds
0
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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