Molecule

ID:67289

General Information
Structure
Molecular Formula
C₇H₃ClF₂O₂
Molecular Mass
192.5473264
Exact Mass
191.97896346
Charge
0
InChI
InChI=1S/C7H3ClF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H,11,12)
InChIKey
VXBQLSVFGIFOPQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(Cl)c(cc1F)F
Isomeric Smiles
C(=O)(c1c(cc(c(c1)Cl)F)F)O
Calculated Properties
JChem
Acid pKa
3.2863727
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.32449785
LogD (pH = 7.4)
-0.9086742
Log P
2.5202773
Molar Refractivity
38.5518
Polarizability
14.291719
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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