Molecule

ID:109155

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-6(9)4-5-7(10)8(2)3/h4-5H2,1-3H3
InChIKey
HZGHSXQROPQLCJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CCC(=O)N(C)C
Isomeric Smiles
CN(C)C(=O)CCC(=O)C
Calculated Properties
JChem
Acid pKa
18.665504
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.42844814
LogD (pH = 7.4)
-0.42844793
Log P
-0.42844793
Molar Refractivity
38.7037
Polarizability
14.925313
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
References
Bioactivity
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