Molecule

ID:124274

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-7(2)15-11(13)8-4-5-10(14-3)9(12)6-8/h4-7H,12H2,1-3H3
InChIKey
WZSCVHIURPJPFK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)C(=O)OC(C)C
Isomeric Smiles
C(=O)(c1cc(c(cc1)OC)N)OC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7623456
LogD (pH = 7.4)
1.7634939
Log P
1.7635086
Molar Refractivity
58.4143
Polarizability
22.098774
Polar Surface Area
61.55
Rotatable Bonds
4
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
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References
Bioactivity
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