Molecule

ID:57508

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c1-6(9)8-4-2-7(10)3-5-8/h7,10H,2-5H2,1H3
InChIKey
KZPIFQYDCVCSDS-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)C(=O)C
Isomeric Smiles
C1CN(CCC1O)C(=O)C
Calculated Properties
JChem
Acid pKa
15.177589
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2648767
LogD (pH = 7.4)
-1.2648766
Log P
-1.2648766
Molar Refractivity
37.9836
Polarizability
14.750852
Polar Surface Area
40.54
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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