(2Z)-2-[[5-(2-bromophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

Formula:C20H11N2O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (2Z)-2-[[5-(2-bromophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.

MolName	(2Z)-2-[[5-(2-bromophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
MolecularFormula	C20H11N2O2BrS
Smiles	O=C(/C(/S1)=C/c2ccc(-c(cccc3)c3Br)o2)n2c1nc1c2cccc1
InChI	InChI=1S/C20H11BrN2O2S/c21-14-6-2-1-5-13(14)17-10-9-12(25-17)11-18-19(24)23-16-8-4-3-7-15(16)22-20(23)26-18/h1-11H
InChIK	FJVCUDZQXBGDTF-UHFFFAOYSA-N
TotalMolweight	423.289
Molweight	423.289
MonoisotopicMass	421.972459
CLogP	5.1703
CLogS	-6.429
H Acceptors	4
TotalSurfaceArea	270.11
Relative PSA	0.23131
PolarSurfaceArea	73.33
Druglikeness	2.4918
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Aromatic Nitrogens	2
StereoCon

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