[(Z)-(4-oxo-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene)amino] 2,2,2-trifluoroacetate

Formula:C8H4N3O4F3 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(Z)-(4-oxo-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene)amino] 2,2,2-trifluoroacetate is a drug-like molecule.

MolName	[(Z)-(4-oxo-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene)amino] 2,2,2-trifluoroacetate
MolecularFormula	C8H4N3O4F3
Smiles	O=C(C(F)(F)F)O/N=C(/CCc1nonc11)\C1=O
InChI	InChI=1S/C8H4F3N3O4/c9-8(10,11)7(16)17-12-4-2-1-3-5(6(4)15)14-18-13-3/h1-2H2
InChIK	PISGABZDXPILBS-UHFFFAOYSA-N
TotalMolweight	263.131
Molweight	263.131
MonoisotopicMass	263.015391
CLogP	1.5422
CLogS	-2.233
H Acceptors	7
TotalSurfaceArea	172.42
Relative PSA	0.48509
PolarSurfaceArea	94.65
Druglikeness	-39.959
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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1 - [(Z)-(4-oxo-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene)amino] 2,2,2-trifluoroacetate | 2 - [(Z)-(4-oxo-6,7-dihydro-2,1,3-benzoxadiazol-5-ylidene)amino] 2,2,2-trifluoroacetate

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