Molecule

ID:96567

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₂F₃O₂
Molecular Mass
287.0625896
Exact Mass
285.97751948
Charge
0
InChI
InChI=1S/C10H7Cl2F3O2/c11-7-4-6(10(13,14)15)2-1-5(7)3-8(12)9(16)17/h1-2,4,8H,3H2,(H,16,17)
InChIKey
VHOLGURUOOMPRW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1ccc(cc1Cl)C(F)(F)F)Cl
Isomeric Smiles
O=C(C(Cc1c(cc(cc1)C(F)(F)F)Cl)Cl)O
Calculated Properties
JChem
Acid pKa
3.0675943
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6203871
LogD (pH = 7.4)
0.55498534
Log P
4.020982
Molar Refractivity
57.2883
Polarizability
21.581224
Polar Surface Area
37.3
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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