Molecule

ID:134318

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇N₂O₂
Molecular Mass
185.24348
Exact Mass
185.12900279
Charge
0
InChI
InChI=1S/C9H17N2O2/c1-8(2)5-6(7(10)12)9(3,4)11(8)13/h6H,5H2,1-4H3,(H2,10,12)
InChIKey
XNNPAWRINYCIHL-UHFFFAOYSA-N
Canonic Smiles
[O]N1C(C)(C)CC(C1(C)C)C(=O)N
Isomeric Smiles
CC1(CC(C(N1[O])(C)C)C(=O)N)C
Calculated Properties
JChem
Acid pKa
16.429888
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.11793106
LogD (pH = 7.4)
-0.11793068
Log P
-0.11793067
Molar Refractivity
48.8994
Polarizability
19.527208
Polar Surface Area
46.33
Rotatable Bonds
1
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
References
Bioactivity
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