Molecule

ID:45952

General Information
Structure
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-14-11(13)9-4-2-3-5-10(9)15-8-6-12-7-8/h2-5,8,12H,6-7H2,1H3
InChIKey
KSWYRQHRHXSXFO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1OC1CNC1
Isomeric Smiles
c1(C(=O)OC)c(OC2CNC2)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4641932
LogD (pH = 7.4)
0.20800368
Log P
1.3428903
Molar Refractivity
54.9721
Polarizability
21.75612
Polar Surface Area
47.56
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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