Molecule

ID:34290

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₂
Molecular Mass
197.27406
Exact Mass
197.14157885
Charge
0
InChI
InChI=1S/C11H19NO2/c1-3-10-6-4-5-7-12(10)11(14)8-9(2)13/h10H,3-8H2,1-2H3
InChIKey
HIRLALHAPSIRQO-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1C(=O)CC(=O)C
Isomeric Smiles
C1CC(N(CC1)C(=O)CC(=O)C)CC
Calculated Properties
JChem
Acid pKa
10.400537
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4283758
LogD (pH = 7.4)
1.4279481
Log P
1.4283813
Molar Refractivity
55.2393
Polarizability
21.5472
Polar Surface Area
37.38
Rotatable Bonds
3
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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