Molecule
ID:97525
General Information
Molecular Formula
C₄H₃ClF₄O₂
Molecular Mass
194.5120328
Exact Mass
193.9757699
Charge
0
InChI
InChI=1S/C4H3ClF4O2/c1-11-2(10)3(6,7)4(5,8)9/h1H3
InChIKey
YHMRYDXPCZSESQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(Cl)(F)F)(F)F
Isomeric Smiles
O(C(=O)C(F)(F)C(Cl)(F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9622062
LogD (pH = 7.4)
1.9622062
Log P
1.9622062
Molar Refractivity
27.9258
Polarizability
10.801723
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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