(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enenitrile

Formula:C29H19N3S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]prop-2-enenitrile
MolecularFormula	C29H19N3S2
Smiles	N#C/C(/Sc1nc(cccc2)c2s1)=C\c1cn(Cc2cccc3ccccc23)c2c1cccc2
InChI	InChI=1S/C29H19N3S2/c30-17-23(33-29-31-26-13-4-6-15-28(26)34-29)16-22-19-32(27-14-5-3-12-25(22)27)18-21-10-7-9-20-8-1-2-11-24(20)21/h1-16,19H,18H2
InChIK	JKGVIFBHPULWKO-UHFFFAOYSA-N
TotalMolweight	473.623
Molweight	473.623
MonoisotopicMass	473.102037
CLogP	7.1107
CLogS	-8.094
H Acceptors	3
TotalSurfaceArea	358.15
Relative PSA	0.19335
PolarSurfaceArea	95.15
Druglikeness	-1.2603
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	28
Sp3Atoms	2
Aromatic Nitrogens	2
StereoCon

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