Molecule

ID:20168

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClF₂NO
Molecular Mass
257.6637064
Exact Mass
257.04189807
Charge
0
InChI
InChI=1S/C12H9F2NO.ClH/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10;/h1-7H,15H2;1H
InChIKey
WISMWVXITBZSLL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Oc1ccc(cc1F)F.Cl
Isomeric Smiles
c1(c(cc(cc1)F)F)Oc1ccc(N)cc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.919762
LogD (pH = 7.4)
2.9298804
Log P
2.930011
Molar Refractivity
57.432
Polarizability
21.155355
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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