Molecule

ID:42802

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-4-15-11(13)8-5-7(2)10(14-3)6-9(8)12/h5-6H,4,12H2,1-3H3
InChIKey
DHCQOODDCXZLKZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(C)c(cc1N)OC
Isomeric Smiles
c1(c(cc(c(c1)C)OC)N)C(=O)OCC
Calculated Properties
JChem
Acid pKa
19.21568
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5101728
LogD (pH = 7.4)
2.5103526
Log P
2.510355
Molar Refractivity
59.0367
Polarizability
22.024014
Polar Surface Area
61.55
Rotatable Bonds
4
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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