6-chloro-2-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyrimidine-2,4-diamine

Formula:C11H5N5ClF5 Mutagenic:low Tumorigenic:none Reproductive Effective:none 6-chloro-2-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyrimidine-2,4-diamine is a drug-like molecule.

MolName	6-chloro-2-N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyrimidine-2,4-diamine
MolecularFormula	C11H5N5ClF5
Smiles	Nc1cc(Cl)nc(N/N=C\c(c(F)c(c(F)c2F)F)c2F)n1
InChI	InChI=1S/C11H5ClF5N5/c12-4-1-5(18)21-11(20-4)22-19-2-3-6(13)8(15)10(17)9(16)7(3)14/h1-2H,(H3,18,20,21,22)
InChIK	XZFNGVOGYMDJDW-UHFFFAOYSA-N
TotalMolweight	337.639
Molweight	337.639
MonoisotopicMass	337.015362
CLogP	4.5287
CLogS	-5.086
H Acceptors	5
H Donors	2
TotalSurfaceArea	222.45
Relative PSA	0.27053
PolarSurfaceArea	76.19
Druglikeness	0.91392
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	4
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

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