Molecule
ID:99023
General Information
Molecular Formula
C₃H₂ClF₅O
Molecular Mass
184.492396
Exact Mass
183.97143346
Charge
0
InChI
InChI=1S/C3H2ClF5O/c4-2(5,6)1(10)3(7,8)9/h1,10H
InChIKey
HGIOAGJTHRJMPE-UHFFFAOYSA-N
Canonic Smiles
OC(C(Cl)(F)F)C(F)(F)F
Isomeric Smiles
OC(C(F)(F)Cl)C(F)(F)F
Calculated Properties
JChem
Acid pKa
8.351508
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.6574588
LogD (pH = 7.4)
1.612086
Log P
1.658069
Molar Refractivity
23.6665
Polarizability
8.904301
Polar Surface Area
20.23
Rotatable Bonds
2
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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