(E)-2-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)prop-2-enenitrile

Formula:C13H7NCl2S Mutagenic:none Tumorigenic:low Reproductive Effective:low (E)-2-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(4-chlorophenyl)-3-(5-chlorothiophen-2-yl)prop-2-enenitrile
MolecularFormula	C13H7NCl2S
Smiles	N#C/C(/c(cc1)ccc1Cl)=C/c(s1)ccc1Cl
InChI	InChI=1S/C13H7Cl2NS/c14-11-3-1-9(2-4-11)10(8-16)7-12-5-6-13(15)17-12/h1-7H
InChIK	HKJIHJHIIHUGRM-UHFFFAOYSA-N
TotalMolweight	280.178
Molweight	280.178
MonoisotopicMass	278.967623
CLogP	4.6159
CLogS	-5.128
H Acceptors	1
TotalSurfaceArea	206.22
Relative PSA	0.16448
PolarSurfaceArea	52.03
Druglikeness	-3.2367
Mutagenic	none
Tumorigenic	low
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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