Molecule

ID:56707

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClF₂O₂
Molecular Mass
234.6270664
Exact Mass
234.02591365
Charge
0
InChI
InChI=1S/C10H9ClF2O2/c1-2-8(10(11)14)15-9-4-3-6(12)5-7(9)13/h3-5,8H,2H2,1H3
InChIKey
HYUWDEJDNKJEID-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Cl)Oc1ccc(cc1F)F
Isomeric Smiles
O(c1c(cc(cc1)F)F)C(C(=O)Cl)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.203578
LogD (pH = 7.4)
3.203578
Log P
3.203578
Molar Refractivity
51.915
Polarizability
19.868397
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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