(2E,4E)-2-(1,3-benzothiazol-2-ylsulfanyl)-5-phenylpenta-2,4-dienenitrile

Formula:C18H12N2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,4E)-2-(1,3-benzothiazol-2-ylsulfanyl)-5-phenylpenta-2,4-dienenitrile is not a drug-like molecule.

MolName	(2E,4E)-2-(1,3-benzothiazol-2-ylsulfanyl)-5-phenylpenta-2,4-dienenitrile
MolecularFormula	C18H12N2S2
Smiles	N#C/C(/Sc1nc(cccc2)c2s1)=C\C=C\c1ccccc1
InChI	InChI=1S/C18H12N2S2/c19-13-15(10-6-9-14-7-2-1-3-8-14)21-18-20-16-11-4-5-12-17(16)22-18/h1-12H
InChIK	GDSJJJSZNDZCGY-UHFFFAOYSA-N
TotalMolweight	320.439
Molweight	320.439
MonoisotopicMass	320.044188
CLogP	5.0432
CLogS	-5.822
H Acceptors	2
TotalSurfaceArea	252.73
Relative PSA	0.24682
PolarSurfaceArea	90.22
Druglikeness	-3.1966
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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