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

MolecularFormula : C18H14N3O4F3

Smiles : O=C(C(N/N=C\c(cc1)cc2c1OCCO2)=O)Nc1cccc(C(F)(F)F)c1

InChI : InChI=1S/C18H14F3N3O4/c19-18(20,21)12-2-1-3-13(9-12)23-16(25)17(26)24-22-10-11-4-5-14-15(8-11)28-7-6-27-14/h1-5,8-10H,6-7H2,(H,23,25)(H,24,26)

InChIK : PEMXDROWASUAQV-UHFFFAOYSA-N

TotalMolweight : 393.32

Molweight : 393.32

MonoisotopicMass : 393.093641

CLogP : 2.971

CLogS : -4.485

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 279.68

Relative PSA : 0.28786

PolarSurfaceArea : 89.02

Druglikeness : -10.686

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide

Shape Index : 0.60714

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

Symmetricatoms : 2

Amides : 1

StereoCon :