(2E)-2-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C20H10N3O4BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (2E)-2-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is a drug-like molecule.

MolName	(2E)-2-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C20H10N3O4BrS
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=C2/Sc3nc(cccc4)c4n3C2=O)o1)=O
InChI	InChI=1S/C20H10BrN3O4S/c21-14-9-11(24(26)27)5-7-13(14)17-8-6-12(28-17)10-18-19(25)23-16-4-2-1-3-15(16)22-20(23)29-18/h1-10H
InChIK	AYJRENWXPIUMOM-UHFFFAOYSA-N
TotalMolweight	468.286
Molweight	468.286
MonoisotopicMass	466.957538
CLogP	4.2487
CLogS	-6.889
H Acceptors	7
TotalSurfaceArea	293.78
Relative PSA	0.31622
PolarSurfaceArea	119.15
Druglikeness	-2.5461
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - (2E)-2-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2E)-2-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

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