Molecule

ID:93375

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀ClFO₂
Molecular Mass
276.6901032
Exact Mass
276.03533546
Charge
0
InChI
InChI=1S/C15H10ClFO2/c16-12-4-2-1-3-11(12)14-15(19-14)13(18)9-5-7-10(17)8-6-9/h1-8,14-15H
InChIKey
PXRNXFWVULYKSD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)C1OC1c1ccccc1Cl
Isomeric Smiles
O1C(C1c1c(cccc1)Cl)C(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
15.453087
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.92819
LogD (pH = 7.4)
3.92819
Log P
3.92819
Molar Refractivity
69.9945
Polarizability
27.017208
Polar Surface Area
29.6
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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