Molecule

ID:866

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₃
Molecular Mass
145.15644
Exact Mass
145.07389322
Charge
0
InChI
InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3
InChIKey
YUUAYBAIHCDHHD-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)CCC(=O)OC
Isomeric Smiles
O(C(=O)CCC(=O)CN)C
Calculated Properties
JChem
LogD (pH = 7.4)
-1.42
LogD (pH = 5.5)
-3.10
Log P
-0.85
Rotatable Bonds
5
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
7.83
Polar Surface Area
69.39
Polarizability
14.68
Molar Refractivity
35.22
LOG S
0.34
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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