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C16H10NOCl2F3S | Cheminformatics
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(E)-1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]prop-2-en-1-one

Molecular Formula : C16H10NOCl2F3S | Mutagenic : none | Tumorigenic : high | Reproductive Effective : low |
(E)-1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylsulfanyl]prop-2-en-1-one is a drug-like molecule.

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

MolecularFormula : C16H10NOCl2F3S

Smiles : O=C(/C=C/SCc(ncc(C(F)(F)F)c1)c1Cl)c(cc1)ccc1Cl

InChI : InChI=1S/C16H10Cl2F3NOS/c17-12-3-1-10(2-4-12)15(23)5-6-24-9-14-13(18)7-11(8-22-14)16(19,20)21/h1-8H,9H2

InChIK : MNVIUNQGDRKOEQ-UHFFFAOYSA-N

TotalMolweight : 392.227

Molweight : 392.227

MonoisotopicMass : 390.981222

CLogP : 4.4405

CLogS : -5.951

H Acceptors : 2

TotalSurfaceArea : 267.58

Relative PSA : 0.15509

PolarSurfaceArea : 55.26

Druglikeness : -6.4859

Mutagenic : none

Tumorigenic : high

Reproductive Effective : low

Irritant : high

Nasty Functions :

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 3

Symmetricatoms : 4

Aromatic Nitrogens : 1

StereoCon :

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