6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1H-pyrimidine-2-thione

Formula:C12H8N2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1H-pyrimidine-2-thione is a drug-like molecule.

MolName	6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1H-pyrimidine-2-thione
MolecularFormula	C12H8N2Cl2S
Smiles	S=C1N=CC=C(/C=C/c(ccc(Cl)c2)c2Cl)N1
InChI	InChI=1S/C12H8Cl2N2S/c13-9-3-1-8(11(14)7-9)2-4-10-5-6-15-12(17)16-10/h1-7H,(H,15,16,17)
InChIK	BLYBSEJBRFZUQA-UHFFFAOYSA-N
TotalMolweight	283.182
Molweight	283.182
MonoisotopicMass	281.978522
CLogP	3.6556
CLogS	-4.901
H Acceptors	2
H Donors	1
TotalSurfaceArea	210.74
Relative PSA	0.24186
PolarSurfaceArea	56.48
Druglikeness	0.94954
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
BasicNitrogens	1
StereoCon

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