[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino] 2,2,2-trifluoroacetate

Formula:C8H6N3O3F3 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino] 2,2,2-trifluoroacetate is a drug-like molecule.

MolName	[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino] 2,2,2-trifluoroacetate
MolecularFormula	C8H6N3O3F3
Smiles	O=C(C(F)(F)F)O/N=C1/c2nonc2CCC1
InChI	InChI=1S/C8H6F3N3O3/c9-8(10,11)7(15)16-12-4-2-1-3-5-6(4)14-17-13-5/h1-3H2
InChIK	VCCDFJTXWSPIPH-UHFFFAOYSA-N
TotalMolweight	249.148
Molweight	249.148
MonoisotopicMass	249.036126
CLogP	2.2506
CLogS	-2.581
H Acceptors	6
TotalSurfaceArea	168.43
Relative PSA	0.41917
PolarSurfaceArea	77.58
Druglikeness	-42.744
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	17
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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1 - [(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino] 2,2,2-trifluoroacetate | 2 - [(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino] 2,2,2-trifluoroacetate

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