Molecule

ID:93365

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClF₇O
Molecular Mass
248.5264824
Exact Mass
247.98388997
Charge
0
InChI
InChI=1S/C5H4ClF7O/c6-5(12,13)4(10,11)2(7)3(8,9)1-14/h2,14H,1H2
InChIKey
ADUBAWNWJNFSEQ-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(Cl)(F)F)(F)F)F)(F)F
Isomeric Smiles
OCC(C(F)C(F)(F)C(Cl)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.7329645
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.305248
LogD (pH = 7.4)
2.305246
Log P
2.305248
Molar Refractivity
32.1526
Polarizability
12.419585
Polar Surface Area
20.23
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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