Molecule

ID:125356

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-8(12(2)13)5-9-3-4-10-11(6-9)15-7-14-10/h3-4,6,8,13H,5,7H2,1-2H3
InChIKey
ORADFQZOLNHWRQ-UHFFFAOYSA-N
Canonic Smiles
CN(C(Cc1ccc2c(c1)OCO2)C)O
Isomeric Smiles
c1c2c(ccc1CC(C)N(C)O)OCO2
Calculated Properties
JChem
Acid pKa
15.576913
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4727763
LogD (pH = 7.4)
1.4781476
Log P
1.4782165
Molar Refractivity
56.0113
Polarizability
22.23177
Polar Surface Area
41.93
Rotatable Bonds
3
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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