Molecule

ID:11895

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂FO
Molecular Mass
180.9918232
Exact Mass
179.9544983
Charge
0
InChI
InChI=1S/C6H3Cl2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKey
BOJVIFKSTRCIRJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(c(c1)Cl)O
Isomeric Smiles
Oc1c(Cl)cc(cc1Cl)F
Calculated Properties
JChem
Acid pKa
6.2657666
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9523237
LogD (pH = 7.4)
1.8999805
Log P
3.0204718
Molar Refractivity
37.8649
Polarizability
14.599747
Polar Surface Area
20.23
Rotatable Bonds
0
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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