4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-amine

Formula:C12H10N3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low 4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-amine is a drug-like molecule.

MolName	4-[(E)-2-(4-chlorophenyl)ethenyl]pyrimidin-2-amine
MolecularFormula	C12H10N3Cl
Smiles	Nc1nccc(/C=C/c(cc2)ccc2Cl)n1
InChI	InChI=1S/C12H10ClN3/c13-10-4-1-9(2-5-10)3-6-11-7-8-15-12(14)16-11/h1-8H,(H2,14,15,16)
InChIK	SLOHOIHDYJQRHM-UHFFFAOYSA-N
TotalMolweight	231.685
Molweight	231.685
MonoisotopicMass	231.056324
CLogP	2.6556
CLogS	-3.855
H Acceptors	3
H Donors	1
TotalSurfaceArea	180.98
Relative PSA	0.2056
PolarSurfaceArea	51.8
Druglikeness	-1.2964
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
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	2
Aromatic Atoms	12
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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