(6E)-2-bromo-6-[[N-hydroxy-3,5-bis(trifluoromethyl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one

Formula:C15H7N2O4BrF6 Mutagenic:low Tumorigenic:low Reproductive Effective:none (6E)-2-bromo-6-[[N-hydroxy-3,5-bis(trifluoromethyl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one is a drug-like molecule.

MolName	(6E)-2-bromo-6-[[N-hydroxy-3,5-bis(trifluoromethyl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one
MolecularFormula	C15H7N2O4BrF6
Smiles	[O-][N+](C(C=C(C1=O)Br)=C/C1=C\N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O)=O
InChI	InChI=1S/C15H7BrF6N2O4/c16-12-5-11(24(27)28)1-7(13(12)25)6-23(26)10-3-8(14(17,18)19)2-9(4-10)15(20,21)22/h1-6,26H
InChIK	GZPNBNREVIOGSA-UHFFFAOYSA-N
TotalMolweight	473.123
Molweight	473.123
MonoisotopicMass	471.949337
CLogP	2.5285
CLogS	-4.919
H Acceptors	6
H Donors	1
TotalSurfaceArea	269.51
Relative PSA	0.22303
PolarSurfaceArea	86.36
Druglikeness	-19.232
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	8
AcidicOxygens	1
StereoCon

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1 - (6E)-2-bromo-6-[[N-hydroxy-3,5-bis(trifluoromethyl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one | 2 - (6E)-2-bromo-6-[[N-hydroxy-3,5-bis(trifluoromethyl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one

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