6-[(E)-2-phenylethenyl]-1H-pyrimidine-2-thione

Formula:C12H10N2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[(E)-2-phenylethenyl]-1H-pyrimidine-2-thione is a drug-like molecule.

MolName	6-[(E)-2-phenylethenyl]-1H-pyrimidine-2-thione
MolecularFormula	C12H10N2S
Smiles	S=C1N=CC=C(/C=C/c2ccccc2)N1
InChI	InChI=1S/C12H10N2S/c15-12-13-9-8-11(14-12)7-6-10-4-2-1-3-5-10/h1-9H,(H,13,14,15)
InChIK	HAKWVAGTNKSIMK-UHFFFAOYSA-N
TotalMolweight	214.291
Molweight	214.291
MonoisotopicMass	214.056468
CLogP	2.4436
CLogS	-3.429
H Acceptors	2
H Donors	1
TotalSurfaceArea	179.9
Relative PSA	0.28332
PolarSurfaceArea	56.48
Druglikeness	0.87124
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.66667
Fragments	1
Non HAtoms	15
NonCHAtoms	3
Electronegative Atoms	3
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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