Molecule

ID:98113

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₄FN
Molecular Mass
298.9558632
Exact Mass
296.90818807
Charge
0
InChI
InChI=1S/C10H4Cl4FN/c11-7-4-9(10(12,13)14)16-8-2-1-5(15)3-6(7)8/h1-4H
InChIKey
QQZORGMGEWUHTQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(Cl)cc(n2)C(Cl)(Cl)Cl
Isomeric Smiles
n1c(cc(c2cc(ccc12)F)Cl)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.761401
LogD (pH = 7.4)
4.7614055
Log P
4.7614055
Molar Refractivity
65.1066
Polarizability
25.972677
Polar Surface Area
12.89
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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