(E)-2-(1-benzothiophene-3-carbonyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile

Formula:C18H9NOCl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-(1-benzothiophene-3-carbonyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1-benzothiophene-3-carbonyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
MolecularFormula	C18H9NOCl2S
Smiles	N#C/C(/C(c1csc2c1cccc2)=O)=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C18H9Cl2NOS/c19-13-6-5-11(16(20)8-13)7-12(9-21)18(22)15-10-23-17-4-2-1-3-14(15)17/h1-8,10H
InChIK	IIDJMZOJDAPYDK-UHFFFAOYSA-N
TotalMolweight	358.247
Molweight	358.247
MonoisotopicMass	356.978188
CLogP	5.2068
CLogS	-6.823
H Acceptors	2
TotalSurfaceArea	258.57
Relative PSA	0.18161
PolarSurfaceArea	69.1
Druglikeness	-3.3071
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
StereoCon

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