2-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanylacetonitrile

Formula:C14H9N3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanylacetonitrile is a drug-like molecule.

MolName	2-[4-[(E)-2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanylacetonitrile
MolecularFormula	C14H9N3Cl2S
Smiles	N#CCSc1nccc(/C=C/c(ccc(Cl)c2)c2Cl)n1
InChI	InChI=1S/C14H9Cl2N3S/c15-11-3-1-10(13(16)9-11)2-4-12-5-7-18-14(19-12)20-8-6-17/h1-5,7,9H,8H2
InChIK	OPTLXRKMVPKHJP-UHFFFAOYSA-N
TotalMolweight	322.218
Molweight	322.218
MonoisotopicMass	320.989421
CLogP	4.0313
CLogS	-5.241
H Acceptors	3
TotalSurfaceArea	240.84
Relative PSA	0.22002
PolarSurfaceArea	74.87
Druglikeness	-4.7749
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Aromatic Nitrogens	2
StereoCon

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