Molecule

ID:43471

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-12-5-6-15-10-4-3-8(7-9(10)12)11(13)14-2/h3-4,7H,5-6H2,1-2H3
InChIKey
WKTVFSQCCDLERH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc2c(c1)N(C)CCO2
Isomeric Smiles
c12N(CCOc2ccc(c1)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7555679
LogD (pH = 7.4)
1.7555704
Log P
1.7555704
Molar Refractivity
57.0061
Polarizability
21.377048
Polar Surface Area
38.77
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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