4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]pyrimidin-2-amine

Formula:C12H9N3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]pyrimidin-2-amine is a drug-like molecule.

MolName	4-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]pyrimidin-2-amine
MolecularFormula	C12H9N3ClF
Smiles	Nc1nccc(/C=C/c(c(F)ccc2)c2Cl)n1
InChI	InChI=1S/C12H9ClFN3/c13-10-2-1-3-11(14)9(10)5-4-8-6-7-16-12(15)17-8/h1-7H,(H2,15,16,17)
InChIK	SWKHKEBWLGTDBU-UHFFFAOYSA-N
TotalMolweight	249.675
Molweight	249.675
MonoisotopicMass	249.046902
CLogP	2.7564
CLogS	-4.169
H Acceptors	3
H Donors	1
TotalSurfaceArea	187.33
Relative PSA	0.19863
PolarSurfaceArea	51.8
Druglikeness	-2.6364
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Aromatic Nitrogens	2
StereoCon

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