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C15H9NOClF3S | Cheminformatics
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(E)-1-(4-chlorophenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylprop-2-en-1-one

Molecular Formula : C15H9NOClF3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-1-(4-chlorophenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylprop-2-en-1-one is a drug-like molecule.

MolName : (E)-1-(4-chlorophenyl)-3-[5-(trifluoromethyl)pyridin-2-yl]sulfanylprop-2-en-1-one

MolecularFormula : C15H9NOClF3S

Smiles : O=C(/C=C/Sc1ncc(C(F)(F)F)cc1)c(cc1)ccc1Cl

InChI : InChI=1S/C15H9ClF3NOS/c16-12-4-1-10(2-5-12)13(21)7-8-22-14-6-3-11(9-20-14)15(17,18)19/h1-9H

InChIK : WFMUVLVAVBQMMS-UHFFFAOYSA-N

TotalMolweight : 343.755

Molweight : 343.755

MonoisotopicMass : 343.004545

CLogP : 3.9011

CLogS : -4.71

H Acceptors : 2

TotalSurfaceArea : 238.4

Relative PSA : 0.17408

PolarSurfaceArea : 55.26

Druglikeness : -6.6075

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.68182

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 4

Aromatic Nitrogens : 1

StereoCon :

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