4-N-[(E)-(3-nitrophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

Formula:C24H18N7O3F3 Mutagenic:high Tumorigenic:none Reproductive Effective:none 4-N-[(E)-(3-nitrophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	4-N-[(E)-(3-nitrophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
MolecularFormula	C24H18N7O3F3
Smiles	[O-][N+](c1cccc(/C=N/Nc2nc(OCC(F)(F)F)nc(N(c3ccccc3)c3ccccc3)n2)c1)=O
InChI	InChI=1S/C24H18F3N7O3/c25-24(26,27)16-37-23-30-21(32-28-15-17-8-7-13-20(14-17)34(35)36)29-22(31-23)33(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-15H,16H2,(H,29,30,31,32)
InChIK	ZPLWMWQBENTKOW-UHFFFAOYSA-N
TotalMolweight	509.447
Molweight	509.447
MonoisotopicMass	509.142322
CLogP	6.7559
CLogS	-9.029
H Acceptors	10
H Donors	1
TotalSurfaceArea	372.23
Relative PSA	0.26825
PolarSurfaceArea	121.35
Druglikeness	-9.4201
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.43243
Fragments	1
Non HAtoms	37
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	10
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	4
Symmetricatoms	10
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - 4-N-[(E)-(3-nitrophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine | 2 - 4-N-[(E)-(3-nitrophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

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