4-N,6-N-diphenyl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine

Formula:C23H18N7F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-N,6-N-diphenyl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.

MolName	4-N,6-N-diphenyl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine
MolecularFormula	C23H18N7F3
Smiles	FC(c1c(/C=N\Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cccc1)(F)F
InChI	InChI=1S/C23H18F3N7/c24-23(25,26)19-14-8-7-9-16(19)15-27-33-22-31-20(28-17-10-3-1-4-11-17)30-21(32-22)29-18-12-5-2-6-13-18/h1-15H,(H3,28,29,30,31,32,33)
InChIK	MPXXGOZXIGCONM-UHFFFAOYSA-N
TotalMolweight	449.439
Molweight	449.439
MonoisotopicMass	449.157577
CLogP	8.1716
CLogS	-7.269
H Acceptors	7
H Donors	3
TotalSurfaceArea	337.42
Relative PSA	0.23354
PolarSurfaceArea	87.12
Druglikeness	-4.6306
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	1
Symmetricatoms	13
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 4-N,6-N-diphenyl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine | 2 - 4-N,6-N-diphenyl-2-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,3,5-triazine-2,4,6-triamine

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