Molecule

ID:72250

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NO₄
Molecular Mass
187.19312
Exact Mass
187.0844579
Charge
0
InChI
InChI=1S/C8H13NO4/c1-2-13-8(11)7(10)9-3-5-12-6-4-9/h2-6H2,1H3
InChIKey
HBHBZMGEGJKXNC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)N1CCOCC1
Isomeric Smiles
C(=O)(N1CCOCC1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.10580716
LogD (pH = 7.4)
-0.10580716
Log P
-0.10580716
Molar Refractivity
44.6464
Polarizability
17.529295
Polar Surface Area
55.84
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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