(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile

Formula:C20H11N2OBrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-bromophenyl)furan-2-yl]prop-2-enenitrile
MolecularFormula	C20H11N2OBrS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1ccc(-c(cc2)ccc2Br)o1
InChI	InChI=1S/C20H11BrN2OS/c21-15-7-5-13(6-8-15)18-10-9-16(24-18)11-14(12-22)20-23-17-3-1-2-4-19(17)25-20/h1-11H
InChIK	SLNYHAJRPJXLCE-UHFFFAOYSA-N
TotalMolweight	407.29
Molweight	407.29
MonoisotopicMass	405.977544
CLogP	5.0039
CLogS	-6.187
H Acceptors	3
TotalSurfaceArea	276.82
Relative PSA	0.21313
PolarSurfaceArea	78.06
Druglikeness	-3.7359
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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