Molecule

ID:96010

General Information
Structure
Molecular Formula
C₁₅H₉ClFNO₂
Molecular Mass
289.6888632
Exact Mass
289.03058443
Charge
0
InChI
InChI=1S/C15H9ClFNO2/c16-15(9-5-2-1-3-6-9)13(19)10-7-4-8-11(17)12(10)18-14(15)20/h1-8H,(H,18,20)
InChIKey
FGTABNHAZWKLEB-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1NC(=O)C(C2=O)(Cl)c1ccccc1
Isomeric Smiles
N1C(=O)C(c2ccccc2)(C(=O)c2cccc(c12)F)Cl
Calculated Properties
JChem
Acid pKa
10.450098
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1167397
LogD (pH = 7.4)
4.116377
Log P
4.116744
Molar Refractivity
74.2071
Polarizability
27.512512
Polar Surface Area
46.17
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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