Molecule

ID:27605

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-2-15-11(14)7-9-3-5-10(6-4-9)12-8-13/h3-6H,2,7H2,1H3
InChIKey
WJCNECDZVRTPNU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(cc1)N=C=O
Isomeric Smiles
C(=Nc1ccc(CC(=O)OCC)cc1)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0232518
LogD (pH = 7.4)
2.0232518
Log P
2.0232518
Molar Refractivity
55.9553
Polarizability
20.786758
Polar Surface Area
55.73
Rotatable Bonds
5
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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