Molecule

ID:18147

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-13-5-4-12-7-9-2-3-10-11(6-9)15-8-14-10/h2-3,6,12H,4-5,7-8H2,1H3
InChIKey
RQPLNXRORONULE-UHFFFAOYSA-N
Canonic Smiles
COCCNCc1ccc2c(c1)OCO2
Isomeric Smiles
c12c(OCO1)ccc(c2)CNCCOC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.877186
LogD (pH = 7.4)
-0.33575258
Log P
1.1078526
Molar Refractivity
56.1164
Polarizability
22.376642
Polar Surface Area
39.72
Rotatable Bonds
5
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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