Molecule

ID:38253

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₃
Molecular Mass
145.15644
Exact Mass
145.07389322
Charge
0
InChI
InChI=1S/C6H11NO3/c1-7-2-3-10-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKey
LJIYTRWQOOXPCZ-UHFFFAOYSA-N
Canonic Smiles
CN1CC(OCC1)C(=O)O
Isomeric Smiles
C1(C(=O)O)CN(CCO1)C
Calculated Properties
JChem
Acid pKa
3.0038078
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.0332603
LogD (pH = 7.4)
-3.2685175
Log P
-3.0326343
Molar Refractivity
34.8925
Polarizability
13.865244
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
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Molecule Details
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References
Bioactivity
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