Molecule

ID:20067

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Cl₂FNO
Molecular Mass
272.1024232
Exact Mass
270.99669746
Charge
0
InChI
InChI=1S/C12H8Cl2FNO/c13-9-6-8(2-3-11(9)15)17-12-4-1-7(16)5-10(12)14/h1-6H,16H2
InChIKey
OSMQEVFJSKPMES-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)Oc1ccc(c(c1)Cl)F
Isomeric Smiles
c1(c(cc(N)cc1)Cl)Oc1cc(c(cc1)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.992484
LogD (pH = 7.4)
3.9953616
Log P
3.9953983
Molar Refractivity
66.8252
Polarizability
25.31624
Polar Surface Area
35.25
Rotatable Bonds
2
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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