(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-bromo-2-prop-2-ynoxyphenyl)prop-2-enenitrile

Formula:C19H11N2OBrS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-bromo-2-prop-2-ynoxyphenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(5-bromo-2-prop-2-ynoxyphenyl)prop-2-enenitrile
MolecularFormula	C19H11N2OBrS2
Smiles	C#CCOc(cc1)c(/C=C(\C#N)/Sc2nc(cccc3)c3s2)cc1Br
InChI	InChI=1S/C19H11BrN2OS2/c1-2-9-23-17-8-7-14(20)10-13(17)11-15(12-21)24-19-22-16-5-3-4-6-18(16)25-19/h1,3-8,10-11H,9H2
InChIK	UANIWCWGGSPDFO-UHFFFAOYSA-N
TotalMolweight	427.345
Molweight	427.345
MonoisotopicMass	425.949614
CLogP	5.069
CLogS	-6.986
H Acceptors	3
TotalSurfaceArea	292.43
Relative PSA	0.24751
PolarSurfaceArea	99.45
Druglikeness	-5.4267
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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