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C14H8N3OCl2F3 | Cheminformatics
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(2Z)-1-(4-chlorophenyl)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]ethanone

Molecular Formula : C14H8N3OCl2F3 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : low |
(2Z)-1-(4-chlorophenyl)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]ethanone is not a drug-like molecule.

MolName : (2Z)-1-(4-chlorophenyl)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]ethanone

MolecularFormula : C14H8N3OCl2F3

Smiles : O=C(/C=N\Nc(ncc(C(F)(F)F)c1)c1Cl)c(cc1)ccc1Cl

InChI : InChI=1S/C14H8Cl2F3N3O/c15-10-3-1-8(2-4-10)12(23)7-21-22-13-11(16)5-9(6-20-13)14(17,18)19/h1-7H,(H,20,22)

InChIK : VIRNWOJWTJZRPR-UHFFFAOYSA-N

TotalMolweight : 362.138

Molweight : 362.138

MonoisotopicMass : 360.99965

CLogP : 5.0506

CLogS : -5.197

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 246.05

Relative PSA : 0.19094

PolarSurfaceArea : 54.35

Druglikeness : -4.6425

Mutagenic : none

Tumorigenic : high

Reproductive Effective : low

Irritant : high

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.65217

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 1

Symmetricatoms : 4

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

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1 - (2Z)-1-(4-chlorophenyl)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]ethanone
2 - (2Z)-1-(4-chlorophenyl)-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene]ethanone
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