4-N-phenyl-6-pyrrolidin-1-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine

Formula:C21H20N7F3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-phenyl-6-pyrrolidin-1-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-phenyl-6-pyrrolidin-1-yl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormula	C21H20N7F3
Smiles	FC(c1c(/C=N\Nc2nc(N3CCCC3)nc(Nc3ccccc3)n2)cccc1)(F)F
InChI	InChI=1S/C21H20F3N7/c22-21(23,24)17-11-5-4-8-15(17)14-25-30-19-27-18(26-16-9-2-1-3-10-16)28-20(29-19)31-12-6-7-13-31/h1-5,8-11,14H,6-7,12-13H2,(H2,26,27,28,29,30)
InChIK	OXFUXEWBYNGHIE-UHFFFAOYSA-N
TotalMolweight	427.433
Molweight	427.433
MonoisotopicMass	427.173227
CLogP	7.1322
CLogS	-6.413
H Acceptors	7
H Donors	2
TotalSurfaceArea	318.04
Relative PSA	0.2229
PolarSurfaceArea	78.33
Druglikeness	-2.8325
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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