Molecule

ID:21429

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)
InChIKey
AWARHXCROCWEAK-UHFFFAOYSA-N
Canonic Smiles
C=CCNC(=O)OC(C)(C)C
Isomeric Smiles
O(C(=O)NCC=C)C(C)(C)C
Calculated Properties
JChem
Acid pKa
15.187286
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5978884
LogD (pH = 7.4)
1.5978884
Log P
1.5978884
Molar Refractivity
43.9545
Polarizability
17.128191
Polar Surface Area
38.33
Rotatable Bonds
4
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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