Molecule

ID:39774

General Information
Structure
MolImage
Molecular Formula
C₁₂H₄Cl₂F₆N₂O
Molecular Mass
377.0693792
Exact Mass
375.96048744
Charge
0
InChI
InChI=1S/C12H4Cl2F6N2O/c13-7-1-5(11(15,16)17)3-21-9(7)22-4-6(12(18,19)20)2-8(14)10(22)23/h1-4H
InChIKey
ZZTAHKATRATLPG-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1n1cc(cc(c1=O)Cl)C(F)(F)F)C(F)(F)F
Isomeric Smiles
n1(c(=O)c(cc(c1)C(F)(F)F)Cl)c1ncc(cc1Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0257483
LogD (pH = 7.4)
4.0257487
Log P
4.0257487
Molar Refractivity
71.6605
Polarizability
25.468117
Polar Surface Area
33.2
Rotatable Bonds
3
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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