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MolName : 2-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethylidene]amino]oxy-N-(2,3,4,5,6-pentafluorophenyl)acetamide

MolecularFormula : C18H12N3O5F5

Smiles : O=C(CO/N=C\C(Nc(cc1)cc2c1OCCO2)=O)Nc(c(F)c(c(F)c1F)F)c1F

InChI : InChI=1S/C18H12F5N3O5/c19-13-14(20)16(22)18(17(23)15(13)21)26-12(28)7-31-24-6-11(27)25-8-1-2-9-10(5-8)30-4-3-29-9/h1-2,5-6H,3-4,7H2,(H,25,27)(H,26,28)

InChIK : HJWPUMBTKSTJBI-UHFFFAOYSA-N

TotalMolweight : 445.299

Molweight : 445.299

MonoisotopicMass : 445.069712

CLogP : 2.3242

CLogS : -5.071

H Acceptors : 8

H Donors : 2

TotalSurfaceArea : 305.73

Relative PSA : 0.29605

PolarSurfaceArea : 98.25

Druglikeness : -6.2173

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : high

Nasty Functions : polyhalo aromatic ring

Shape Index : 0.6129

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 13

Electronegative Atoms : 13

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 4

Amides : 2

StereoCon :