Molecule

ID:56841

General Information
Structure
Molecular Formula
C₁₄H₁₀ClFO₂
Molecular Mass
264.6794032
Exact Mass
264.03533546
Charge
0
InChI
InChI=1S/C14H10ClFO2/c15-14(17)11-3-7-13(8-4-11)18-9-10-1-5-12(16)6-2-10/h1-8H,9H2
InChIKey
LHZZLEMRDYVKIM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)COc1ccc(cc1)C(=O)Cl
Isomeric Smiles
c1cc(ccc1OCc1ccc(cc1)F)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8736622
LogD (pH = 7.4)
3.8736622
Log P
3.8736622
Molar Refractivity
68.4649
Polarizability
25.86897
Polar Surface Area
26.3
Rotatable Bonds
4
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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