4-[(E)-2-(4-chlorophenyl)ethenyl]-2-prop-2-ynylsulfanylpyrimidine

Formula:C15H11N2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-2-(4-chlorophenyl)ethenyl]-2-prop-2-ynylsulfanylpyrimidine is a drug-like molecule.

MolName	4-[(E)-2-(4-chlorophenyl)ethenyl]-2-prop-2-ynylsulfanylpyrimidine
MolecularFormula	C15H11N2ClS
Smiles	C#CCSc1nccc(/C=C/c(cc2)ccc2Cl)n1
InChI	InChI=1S/C15H11ClN2S/c1-2-11-19-15-17-10-9-14(18-15)8-5-12-3-6-13(16)7-4-12/h1,3-10H,11H2
InChIK	RZOKQLIUVKIPOT-UHFFFAOYSA-N
TotalMolweight	286.785
Molweight	286.785
MonoisotopicMass	286.033145
CLogP	3.8006
CLogS	-4.681
H Acceptors	2
TotalSurfaceArea	227.52
Relative PSA	0.1733
PolarSurfaceArea	51.08
Druglikeness	-0.41055
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73684
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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