Molecule

ID:20065

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂FNO
Molecular Mass
274.1183032
Exact Mass
273.01234753
Charge
0
InChI
InChI=1S/C12H9ClFNO.ClH/c13-11-7-9(15)4-5-12(11)16-10-3-1-2-8(14)6-10;/h1-7H,15H2;1H
InChIKey
NMBHAIBSZGANQY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)Oc1cccc(c1)F.Cl
Isomeric Smiles
c1(c(cc(N)cc1)Cl)Oc1cccc(c1)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3874042
LogD (pH = 7.4)
3.3913038
Log P
3.3913536
Molar Refractivity
62.0204
Polarizability
23.362627
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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