Molecule

ID:87125

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NO₂
Molecular Mass
141.16774
Exact Mass
141.0789786
Charge
0
InChI
InChI=1S/C7H11NO2/c1-7(2)3-5(9)8-6(10)4-7/h3-4H2,1-2H3,(H,8,9,10)
InChIKey
YUJCWMGBRDBPDL-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)CC(C1)(C)C
Isomeric Smiles
N1C(=O)CC(CC1=O)(C)C
Calculated Properties
JChem
Acid pKa
11.7953005
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.038163103
LogD (pH = 7.4)
0.03814604
Log P
0.03816332
Molar Refractivity
35.9061
Polarizability
14.211085
Polar Surface Area
46.17
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation