(5Z)-2-amino-5-[[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

Formula:C14H7N3O4Br2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-2-amino-5-[[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.

MolName	(5Z)-2-amino-5-[[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one
MolecularFormula	C14H7N3O4Br2S
Smiles	NC(S/C1=C\c2ccc(-c(c(Br)cc([N+]([O-])=O)c3)c3Br)o2)=NC1=O
InChI	InChI=1S/C14H7Br2N3O4S/c15-8-3-6(19(21)22)4-9(16)12(8)10-2-1-7(23-10)5-11-13(20)18-14(17)24-11/h1-5H,(H2,17,18,20)
InChIK	UIFDGFIYDLUENB-UHFFFAOYSA-N
TotalMolweight	473.101
Molweight	473.101
MonoisotopicMass	470.852399
CLogP	2.4067
CLogS	-6.877
H Acceptors	7
H Donors	1
TotalSurfaceArea	261.58
Relative PSA	0.38933
PolarSurfaceArea	139.71
Druglikeness	-3.5636
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	3
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - (5Z)-2-amino-5-[[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-amino-5-[[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

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