6-[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine

Formula:C11H10N5Cl Mutagenic:high Tumorigenic:low Reproductive Effective:high 6-[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine is a drug-like molecule.

MolName	6-[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine-2,4-diamine
MolecularFormula	C11H10N5Cl
Smiles	Nc1nc(/C=C/c(cc2)ccc2Cl)nc(N)n1
InChI	InChI=1S/C11H10ClN5/c12-8-4-1-7(2-5-8)3-6-9-15-10(13)17-11(14)16-9/h1-6H,(H4,13,14,15,16,17)
InChIK	WXRLHIWOBAJHOC-UHFFFAOYSA-N
TotalMolweight	247.688
Molweight	247.688
MonoisotopicMass	247.062472
CLogP	2.0596
CLogS	-3.839
H Acceptors	5
H Donors	2
TotalSurfaceArea	188.26
Relative PSA	0.33703
PolarSurfaceArea	90.71
Druglikeness	-1.2964
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	5
Aromatic Nitrogens	3
StereoCon

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