Molecule

ID:71431

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₃
Molecular Mass
159.18302
Exact Mass
159.08954328
Charge
0
InChI
InChI=1S/C7H13NO3/c1-11-7(10)8-4-2-6(9)3-5-8/h6,9H,2-5H2,1H3
InChIKey
AACMIVJLZDJLSX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)N1CCC(CC1)O
Isomeric Smiles
N1(C(=O)OC)CCC(CC1)O
Calculated Properties
JChem
Acid pKa
15.177349
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6455855
LogD (pH = 7.4)
-0.6455855
Log P
-0.6455855
Molar Refractivity
39.6072
Polarizability
15.491279
Polar Surface Area
49.77
Rotatable Bonds
1
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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