Molecule

ID:99103

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClFO₂
Molecular Mass
264.6794032
Exact Mass
264.03533546
Charge
0
InChI
InChI=1S/C14H10ClFO2/c15-10-3-1-2-9(6-10)7-14(18)12-8-11(16)4-5-13(12)17/h1-6,8,17H,7H2
InChIKey
WKJACXUFNXGWOI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)Cc1cccc(c1)Cl)O
Isomeric Smiles
Oc1c(cc(cc1)F)C(=O)Cc1cc(ccc1)Cl
Calculated Properties
JChem
Acid pKa
9.8349
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.4583945
LogD (pH = 7.4)
4.4568334
Log P
4.4584146
Molar Refractivity
68.1848
Polarizability
25.817917
Polar Surface Area
37.3
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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