Molecule

ID:11329

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₃
Molecular Mass
217.22064
Exact Mass
217.07389322
Charge
0
InChI
InChI=1S/C12H11NO3/c1-16-12(15)7-13-6-9(8-14)10-4-2-3-5-11(10)13/h2-6,8H,7H2,1H3
InChIKey
ZKSBNZGJGCIDPQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cn1cc(c2c1cccc2)C=O
Isomeric Smiles
n1(cc(c2c1cccc2)C=O)CC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6320636
LogD (pH = 7.4)
1.6320636
Log P
1.6320636
Molar Refractivity
59.4789
Polarizability
23.71666
Polar Surface Area
48.3
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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