Molecule

ID:99665

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇Cl₂F₃N₂O
Molecular Mass
323.0979896
Exact Mass
321.98875287
Charge
0
InChI
InChI=1S/C12H7Cl2F3N2O/c13-8-4-6(18)5-9(14)10(8)20-11-7(12(15,16)17)2-1-3-19-11/h1-5H,18H2
InChIKey
XNPBYWGMWIJYGT-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(Cl)c(c(c1)Cl)Oc1ncccc1C(F)(F)F
Isomeric Smiles
n1cccc(c1Oc1c(cc(cc1Cl)N)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1067395
LogD (pH = 7.4)
4.1073227
Log P
4.10733
Molar Refractivity
70.7391
Polarizability
26.027224
Polar Surface Area
48.14
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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