Molecule

ID:75065

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₄
Molecular Mass
211.21452
Exact Mass
211.0844579
Charge
0
InChI
InChI=1S/C10H13NO4/c1-10(2)14-8(12)7(9(13)15-10)6-4-3-5-11-6/h11H,3-5H2,1-2H3
InChIKey
HPMYPUSZJRSKIY-UHFFFAOYSA-N
Canonic Smiles
O=C1OC(C)(C)OC(=O)C1=C1CCCN1
Isomeric Smiles
N1CCCC1=C1C(=O)OC(OC1=O)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6188938
LogD (pH = 7.4)
0.6211044
Log P
0.6211327
Molar Refractivity
52.6298
Polarizability
20.213003
Polar Surface Area
64.63
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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