Molecule

ID:97199

General Information
Structure
Molecular Formula
C₈H₄ClF₅
Molecular Mass
230.562376
Exact Mass
229.99216891
Charge
0
InChI
InChI=1S/C8H4ClF5/c1-3-5(9)2-4(8(12,13)14)7(11)6(3)10/h2H,1H3
InChIKey
YBFICYUOOXEMDM-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(c(c(c1C)F)F)C(F)(F)F
Isomeric Smiles
FC(c1c(c(c(c(c1)Cl)C)F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2539644
LogD (pH = 7.4)
4.2539644
Log P
4.2539644
Molar Refractivity
42.3105
Polarizability
15.076261
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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