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2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

Formula:C19H11N7O3Cl2F6 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
MolName2-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
MolecularFormulaC19H11N7O3Cl2F6
Smiles[O-][N+](c(cc1)ccc1Nc1nc(N/N=C\c(ccc(Cl)c2)c2Cl)nc(OC(C(F)(F)F)C(F)(F)F)n1)=O
InChIInChI=1S/C19H11Cl2F6N7O3/c20-10-2-1-9(13(21)7-10)8-28-33-16-30-15(29-11-3-5-12(6-4-11)34(35)36)31-17(32-16)37-14(18(22,23)24)19(25,26)27/h1-8,14H,(H2,29,30,31,32,33)
InChIKDXHOWJCSQFGWSF-UHFFFAOYSA-N
TotalMolweight570.236
Molweight570.236
MonoisotopicMass569.02046
CLogP7.7475
CLogS-9.021
H Acceptors10
H Donors2
TotalSurfaceArea372.67
Relative PSA0.28916
PolarSurfaceArea130.14
Druglikeness-14.8
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.48649
Fragments1
Non HAtoms37
NonCHAtoms18
Electronegative Atoms18
Rotatable Bond10
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms8
Aromatic Nitrogens3
AcidicOxygens1
StereoCon

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