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C16H13N2O2F3 | Cheminformatics

N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(trifluoromethyl)aniline

Molecular Formula : C16H13N2O2F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(trifluoromethyl)aniline is not a drug-like molecule.

MolName : N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(trifluoromethyl)aniline

MolecularFormula : C16H13N2O2F3

Smiles : FC(c(cccc1)c1N/N=C\c(cc1)cc2c1OCCO2)(F)F

InChI : InChI=1S/C16H13F3N2O2/c17-16(18,19)12-3-1-2-4-13(12)21-20-10-11-5-6-14-15(9-11)23-8-7-22-14/h1-6,9-10,21H,7-8H2

InChIK : RIKPVLASAUZSOF-UHFFFAOYSA-N

TotalMolweight : 322.285

Molweight : 322.285

MonoisotopicMass : 322.092912

CLogP : 5.668

CLogS : -4.109

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 232.72

Relative PSA : 0.18464

PolarSurfaceArea : 42.85

Druglikeness : -12.441

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.56522

Fragments : 1

Non HAtoms : 23

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

Symmetricatoms : 2

StereoCon :

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