Molecule

ID:72249

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-8-5-3-4-6-9(8)11(14)12-7-10(13)15-2/h3-6H,7H2,1-2H3,(H,12,14)
InChIKey
MAMKIKKUMOLVSD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CNC(=O)c1ccccc1C
Isomeric Smiles
C(=O)(c1c(C)cccc1)NCC(=O)OC
Calculated Properties
JChem
Acid pKa
15.258863
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1848608
LogD (pH = 7.4)
1.184861
Log P
1.184861
Molar Refractivity
55.928
Polarizability
21.237383
Polar Surface Area
55.4
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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