(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile

Formula:C25H15N3Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
MolecularFormula	C25H15N3Cl2S2
Smiles	N#C/C(/Sc1nc(cccc2)c2s1)=C\c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2
InChI	InChI=1S/C25H15Cl2N3S2/c26-18-10-9-16(21(27)12-18)14-30-15-17(20-5-1-3-7-23(20)30)11-19(13-28)31-25-29-22-6-2-4-8-24(22)32-25/h1-12,15H,14H2
InChIK	GKFBHFLEPVSGLL-UHFFFAOYSA-N
TotalMolweight	492.453
Molweight	492.453
MonoisotopicMass	491.008441
CLogP	7.1283
CLogS	-7.96
H Acceptors	3
TotalSurfaceArea	354.39
Relative PSA	0.19541
PolarSurfaceArea	95.15
Druglikeness	-1.2241
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	2
Aromatic Nitrogens	2
StereoCon

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1 - (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile | 2 - (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile

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