Molecule

ID:113471

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂Cl₂FNO
Molecular Mass
300.1555832
Exact Mass
299.02799759
Charge
0
InChI
InChI=1S/C14H12Cl2FNO/c1-8-5-11(14(19)7-15)9(2)18(8)10-3-4-13(17)12(16)6-10/h3-6H,7H2,1-2H3
InChIKey
XHERGMMKGRYSNC-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1cc(n(c1C)c1ccc(c(c1)Cl)F)C
Isomeric Smiles
n1(c(c(cc1C)C(=O)CCl)C)c1cc(c(cc1)F)Cl
Calculated Properties
JChem
Acid pKa
15.31977
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1479
LogD (pH = 7.4)
3.1479
Log P
3.1479
Molar Refractivity
86.287
Polarizability
28.995958
Polar Surface Area
22.0
Rotatable Bonds
3
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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