Molecule

ID:117743

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
215.24628
Exact Mass
215.11575803
Charge
0
InChI
InChI=1S/C10H17NO4/c1-3-15-9(12)8-4-6-11(7-5-8)10(13)14-2/h8H,3-7H2,1-2H3
InChIKey
TWULIESUCDGNSQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(=O)OC
Isomeric Smiles
N1(C(=O)OC)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.6121676
LogD (pH = 7.4)
0.6121676
Log P
0.6121676
Molar Refractivity
53.7825
Polarizability
21.170666
Polar Surface Area
55.84
Rotatable Bonds
4
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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