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C16H11NO2ClF3 | Cheminformatics
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(E)-1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one

Molecular Formula : C16H11NO2ClF3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-(4-chlorophenyl)-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one

MolecularFormula : C16H11NO2ClF3

Smiles : O=C(/C=C/Nc(cc1)ccc1OC(F)(F)F)c(cc1)ccc1Cl

InChI : InChI=1S/C16H11ClF3NO2/c17-12-3-1-11(2-4-12)15(22)9-10-21-13-5-7-14(8-6-13)23-16(18,19)20/h1-10,21H

InChIK : AXHDWTFJIYFSBL-UHFFFAOYSA-N

TotalMolweight : 341.715

Molweight : 341.715

MonoisotopicMass : 341.04304

CLogP : 4.1795

CLogS : -5.545

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 243.61

Relative PSA : 0.14162

PolarSurfaceArea : 38.33

Druglikeness : -7.3784

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.69565

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 6

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 6

StereoCon :

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