Molecule
ID:11877
General Information
Molecular Formula
C₄H₂ClF₇
Molecular Mass
218.5005024
Exact Mass
217.97332528
Charge
0
InChI
InChI=1S/C4H2ClF7/c5-1(3(7,8)9)2(6)4(10,11)12/h1-2H
InChIKey
YCBUFAWATXHLGJ-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)C(C(F)(F)F)Cl
Isomeric Smiles
C(C(C(C(F)(F)F)F)Cl)(F)(F)F
Calculated Properties
JChem
Acid pKa
17.774101
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0667312
LogD (pH = 7.4)
3.0667312
Log P
3.0667312
Molar Refractivity
26.1531
Polarizability
10.010384
Polar Surface Area
0.0
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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