Molecule

ID:128229

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-8(12-13-2)5-9-3-4-10-11(6-9)15-7-14-10/h3-4,6,8,12H,5,7H2,1-2H3
InChIKey
MTIKJUJMCMDSGM-UHFFFAOYSA-N
Canonic Smiles
CONC(Cc1ccc2c(c1)OCO2)C
Isomeric Smiles
CC(NOC)Cc1ccc2OCOc2c1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.770526
LogD (pH = 7.4)
1.911946
Log P
1.9140832
Molar Refractivity
66.2118
Polarizability
22.303125
Polar Surface Area
39.72
Rotatable Bonds
4
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
References
Bioactivity
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