Molecule
ID:11980
General Information
Molecular Formula
C₄H₂ClF₇O
Molecular Mass
234.4999024
Exact Mass
233.9682399
Charge
0
InChI
InChI=1S/C4H2ClF7O/c5-2(7)13-4(11,12)1(6)3(8,9)10/h1-2H
InChIKey
GPRYVSOUOYKCHJ-UHFFFAOYSA-N
Canonic Smiles
FC(OC(C(C(F)(F)F)F)(F)F)Cl
Isomeric Smiles
O(C(F)(C(C(F)(F)F)F)F)C(F)Cl
Calculated Properties
JChem
Acid pKa
14.963783
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.321986
LogD (pH = 7.4)
3.321986
Log P
3.321986
Molar Refractivity
28.1418
Polarizability
10.849639
Polar Surface Area
9.23
Rotatable Bonds
4
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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