Molecule

ID:99074

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀ClFO₂
Molecular Mass
288.7008032
Exact Mass
288.03533546
Charge
0
InChI
InChI=1S/C16H10ClFO2/c1-9-13-8-12(18)6-7-14(13)20-16(19)15(9)10-2-4-11(17)5-3-10/h2-8H,1H3
InChIKey
CCFREWLDFUDWAK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1c(=O)oc2c(c1C)cc(cc2)F
Isomeric Smiles
o1c(=O)c(c(c2c1ccc(c2)F)C)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4975886
LogD (pH = 7.4)
4.4975886
Log P
4.4975886
Molar Refractivity
75.3039
Polarizability
28.73587
Polar Surface Area
26.3
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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