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

Formula:C26H19N7O4F6 Mutagenic:high Tumorigenic:none Reproductive Effective:none 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-nitrophenyl)-2-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
MolName6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-nitrophenyl)-2-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4-diamine
MolecularFormulaC26H19N7O4F6
Smiles[O-][N+](c(cc1)ccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N/N=C\c(cc2)ccc2OCc2ccccc2)n1)=O
InChIInChI=1S/C26H19F6N7O4/c27-25(28,29)21(26(30,31)32)43-24-36-22(34-18-8-10-19(11-9-18)39(40)41)35-23(37-24)38-33-14-16-6-12-20(13-7-16)42-15-17-4-2-1-3-5-17/h1-14,21H,15H2,(H2,34,35,36,37,38)
InChIKXWPHYVWAEJBKBW-UHFFFAOYSA-N
TotalMolweight607.47
Molweight607.47
MonoisotopicMass607.140271
CLogP7.8836
CLogS-8.89
H Acceptors11
H Donors2
TotalSurfaceArea425.35
Relative PSA0.27685
PolarSurfaceArea139.37
Druglikeness-15.089
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.53488
Fragments1
Non HAtoms43
NonCHAtoms17
Electronegative Atoms17
Rotatable Bond13
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms7
Symmetricatoms12
Aromatic Nitrogens3
AcidicOxygens1
StereoCon

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