Molecule

ID:41911

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO₃
Molecular Mass
215.20476
Exact Mass
215.05824315
Charge
0
InChI
InChI=1S/C12H9NO3/c1-8(14)9-2-4-10(5-3-9)13-11(15)6-7-12(13)16/h2-7H,1H3
InChIKey
ISGBKWSEHGAUNF-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)N1c1ccc(cc1)C(=O)C
Isomeric Smiles
N1(C(=O)C=CC1=O)c1ccc(C(=O)C)cc1
Calculated Properties
JChem
Acid pKa
15.981516
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8033783
LogD (pH = 7.4)
0.8033791
Log P
0.8033791
Molar Refractivity
58.4285
Polarizability
21.740715
Polar Surface Area
54.45
Rotatable Bonds
2
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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