Molecule

ID:46092

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅NO₃
Molecular Mass
221.2524
Exact Mass
221.10519335
Charge
0
InChI
InChI=1S/C12H15NO3/c1-15-12(14)10-4-2-9(3-5-10)8-16-11-6-13-7-11/h2-5,11,13H,6-8H2,1H3
InChIKey
CFIPGESXPWENGJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)COC1CNC1
Isomeric Smiles
C(=O)(c1ccc(COC2CNC2)cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5782995
LogD (pH = 7.4)
-0.0053247977
Log P
1.3763382
Molar Refractivity
60.076
Polarizability
23.601515
Polar Surface Area
47.56
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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