Molecule

ID:7401

General Information
Structure
MolImage
Molecular Formula
C₇H₃ClF₂O₂
Molecular Mass
192.5473264
Exact Mass
191.97896346
Charge
0
InChI
InChI=1S/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKey
CGFMLBSNHNWJAW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(F)c(cc1Cl)F
Isomeric Smiles
c1(c(F)cc(c(c1)Cl)C(=O)O)F
Calculated Properties
JChem
Acid pKa
2.9194858
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.015087012
LogD (pH = 7.4)
-0.96312654
Log P
2.5202773
Molar Refractivity
38.5518
Polarizability
14.285086
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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