Molecule

ID:25043

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃Cl₂F₃N₂O
Molecular Mass
341.1563296
Exact Mass
340.03570307
Charge
0
InChI
InChI=1S/C13H11F3N2O.2ClH/c14-13(15,16)10-4-1-5-11(7-10)19-12-9(8-17)3-2-6-18-12;;/h1-7H,8,17H2;2*1H
InChIKey
QVGSHACNNMNKFX-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1Oc1cccc(c1)C(F)(F)F.Cl.Cl
Isomeric Smiles
C(c1cc(Oc2c(CN)cccn2)ccc1)(F)(F)F.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.008928648
LogD (pH = 7.4)
1.448459
Log P
2.853935
Molar Refractivity
64.9025
Polarizability
24.182737
Polar Surface Area
48.14
Rotatable Bonds
4
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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