Molecule

ID:107508

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₃
Molecular Mass
241.24204
Exact Mass
241.07389322
Charge
0
InChI
InChI=1S/C14H11NO3/c1-10(16)18-14-8-4-12(5-9-14)15-11-2-6-13(17)7-3-11/h2-9H,1H3
InChIKey
XAFOVULQFHVXSZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(cc1)/N=C/1\C=CC(=O)C=C1
Isomeric Smiles
CC(=O)Oc1ccc(cc1)/N=C\1/C=CC(=O)C=C1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7779408
LogD (pH = 7.4)
2.7929387
Log P
2.7931333
Molar Refractivity
70.9068
Polarizability
25.372253
Polar Surface Area
55.73
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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