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

Formula:C18H12N3O5F5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethylidene]amino]oxy-N-(2,3,4,5,6-pentafluorophenyl)acetamide is a drug-like molecule.

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

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

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