Molecule

ID:74071

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉NO₂
Molecular Mass
223.22676
Exact Mass
223.06332853
Charge
0
InChI
InChI=1S/C14H9NO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H,(H2,15,17)
InChIKey
PRROCNFTWSJBTJ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cccc2c1c1ccccc1C2=O
Isomeric Smiles
O=C1c2c(c(ccc2)C(=O)N)c2c1cccc2
Calculated Properties
JChem
Acid pKa
14.574894
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9572186
LogD (pH = 7.4)
1.9572188
Log P
1.9572186
Molar Refractivity
64.7901
Polarizability
25.457914
Polar Surface Area
60.16
Rotatable Bonds
1
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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