Molecule

ID:7134

General Information
Structure
MolImage
Molecular Formula
C₈H₃ClF₄O
Molecular Mass
226.5554328
Exact Mass
225.98085528
Charge
0
InChI
InChI=1S/C8H3ClF4O/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-3H
InChIKey
MSZTVIFIFJCNRQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(cc(c1F)Cl)C(F)(F)F
Isomeric Smiles
c1(cc(c(c(c1)C=O)F)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3103433
LogD (pH = 7.4)
3.3103433
Log P
3.3103433
Molar Refractivity
43.6369
Polarizability
15.426098
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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