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

Formula:C12H9N2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrimidine-2-thione is a drug-like molecule.

MolName	6-[(E)-2-(4-chlorophenyl)ethenyl]-1H-pyrimidine-2-thione
MolecularFormula	C12H9N2ClS
Smiles	S=C1N=CC=C(/C=C/c(cc2)ccc2Cl)N1
InChI	InChI=1S/C12H9ClN2S/c13-10-4-1-9(2-5-10)3-6-11-7-8-14-12(16)15-11/h1-8H,(H,14,15,16)
InChIK	DROZUEGHWVCDEG-UHFFFAOYSA-N
TotalMolweight	248.736
Molweight	248.736
MonoisotopicMass	248.017495
CLogP	3.0496
CLogS	-4.165
H Acceptors	2
H Donors	1
TotalSurfaceArea	195.32
Relative PSA	0.26096
PolarSurfaceArea	56.48
Druglikeness	0.94954
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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