Molecule

ID:95308

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClF₂O₂
Molecular Mass
282.6698664
Exact Mass
282.02591365
Charge
0
InChI
InChI=1S/C14H9ClF2O2/c15-8-9-1-3-10(4-2-9)14(18)19-13-6-5-11(16)7-12(13)17/h1-7H,8H2
InChIKey
LEXMKVWCXKHIBU-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)C(=O)Oc1ccc(cc1F)F
Isomeric Smiles
O(c1ccc(cc1F)F)C(=O)c1ccc(cc1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.507327
LogD (pH = 7.4)
4.507327
Log P
4.507327
Molar Refractivity
68.1606
Polarizability
25.58492
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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