2,3,5,6-tetrafluoro-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline
Formula:C23H13N4O2F7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,3,5,6-tetrafluoro-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2,3,5,6-tetrafluoro-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline |
| MolecularFormula | C23H13N4O2F7 |
| Smiles | [O-][N+](c1ccc(Cn2c(cccc3)c3c(/C=N\Nc(c(F)c(c(C(F)(F)F)c3F)F)c3F)c2)cc1)=O |
| InChI | InChI=1S/C23H13F7N4O2/c24-18-17(23(28,29)30)19(25)21(27)22(20(18)26)32-31-9-13-11-33(16-4-2-1-3-15(13)16)10-12-5-7-14(8-6-12)34(35)36/h1-9,11,32H,10H2 |
| InChIK | ZPAJFTRCPZEXQI-UHFFFAOYSA-N |
| TotalMolweight | 510.368 |
| Molweight | 510.368 |
| MonoisotopicMass | 510.092672 |
| CLogP | 6.7005 |
| CLogS | -6.621 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 345.09 |
| Relative PSA | 0.17462 |
| PolarSurfaceArea | 75.14 |
| Druglikeness | -8.161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2,3,5,6-tetrafluoro-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline | 2 - 2,3,5,6-tetrafluoro-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]-4-(trifluoromethyl)aniline
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