Molecule

ID:65408

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₃
Molecular Mass
145.15644
Exact Mass
145.07389322
Charge
0
InChI
InChI=1S/C6H11NO3/c1-9-6(8)5(7)4-2-10-3-4/h4-5H,2-3,7H2,1H3
InChIKey
PEBXHAVHVOZWTQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C1COC1)N
Isomeric Smiles
C1C(CO1)C(N)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.7601788
LogD (pH = 7.4)
-1.2193866
Log P
-0.9543398
Molar Refractivity
34.1497
Polarizability
14.102353
Polar Surface Area
61.55
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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