N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide

Formula:C17H11N3O4ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide is a drug-like molecule.

MolName	N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
MolecularFormula	C17H11N3O4ClF3
Smiles	O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)Nc(cc1)cc(C(F)(F)F)c1Cl
InChI	InChI=1S/C17H11ClF3N3O4/c18-12-3-2-10(6-11(12)17(19,20)21)23-15(25)16(26)24-22-7-9-1-4-13-14(5-9)28-8-27-13/h1-7H,8H2,(H,23,25)(H,24,26)
InChIK	ZCYUIYAFDOHEKE-UHFFFAOYSA-N
TotalMolweight	413.738
Molweight	413.738
MonoisotopicMass	413.039018
CLogP	3.7096
CLogS	-5.75
H Acceptors	7
H Donors	2
TotalSurfaceArea	281.34
Relative PSA	0.28617
PolarSurfaceArea	89.02
Druglikeness	-3.5943
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

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