Molecule

ID:91059

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c1-3-18-12(19-4-2)9-15-13(16)10-7-5-6-8-11(10)14(15)17/h5-8,12H,3-4,9H2,1-2H3
InChIKey
GEFXJJJQUSEHLV-UHFFFAOYSA-N
Canonic Smiles
CCOC(CN1C(=O)c2c(C1=O)cccc2)OCC
Isomeric Smiles
N1(CC(OCC)OCC)C(=O)c2c(cccc2)C1=O
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.862642
LogD (pH = 7.4)
1.862642
Log P
1.862642
Molar Refractivity
70.5333
Polarizability
26.605995
Polar Surface Area
55.84
Rotatable Bonds
6
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
No Data Available
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Molecule Details
References
Bioactivity
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