2,2,2-trifluoro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide

Formula:C10H6N3O5F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,2,2-trifluoro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2,2,2-trifluoro-N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
MolecularFormula	C10H6N3O5F3
Smiles	[O-][N+](c1c(/C=N\NC(C(F)(F)F)=O)cc2OCOc2c1)=O
InChI	InChI=1S/C10H6F3N3O5/c11-10(12,13)9(17)15-14-3-5-1-7-8(21-4-20-7)2-6(5)16(18)19/h1-3H,4H2,(H,15,17)
InChIK	XICBJPQLBIKJRL-UHFFFAOYSA-N
TotalMolweight	305.168
Molweight	305.168
MonoisotopicMass	305.025956
CLogP	1.4319
CLogS	-4.462
H Acceptors	8
H Donors	1
TotalSurfaceArea	200.62
Relative PSA	0.43081
PolarSurfaceArea	105.74
Druglikeness	-28.312
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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