Molecule

ID:95927

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀Cl₂F₃N₃
Molecular Mass
312.1184096
Exact Mass
311.02038736
Charge
0
InChI
InChI=1S/C11H10Cl2F3N3/c1-10(2,3)8-7(13)9-17-5(11(14,15)16)4-6(12)19(9)18-8/h4H,1-3H3
InChIKey
QSEWYXDQWOGHNV-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(nc2n1nc(c2Cl)C(C)(C)C)C(F)(F)F
Isomeric Smiles
n12c(c(c(n1)C(C)(C)C)Cl)nc(cc2Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.770667
LogD (pH = 7.4)
4.770678
Log P
4.770678
Molar Refractivity
77.2799
Polarizability
24.914766
Polar Surface Area
30.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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