3-chloro-N-[(Z)-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C21H11N5Cl2F6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C21H11N5Cl2F6 |
| Smiles | FC(c(cc1Cl)cnc1N/N=C\c(c1c2cccc1)cn2-c(ncc(C(F)(F)F)c1)c1Cl)(F)F |
| InChI | InChI=1S/C21H11Cl2F6N5/c22-15-5-12(20(24,25)26)8-30-18(15)33-32-7-11-10-34(17-4-2-1-3-14(11)17)19-16(23)6-13(9-31-19)21(27,28)29/h1-10H,(H,30,33) |
| InChIK | PTFHZCOAKCUPDY-UHFFFAOYSA-N |
| TotalMolweight | 518.247 |
| Molweight | 518.247 |
| MonoisotopicMass | 517.029567 |
| CLogP | 9.0409 |
| CLogS | -8.041 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 340.08 |
| Relative PSA | 0.15226 |
| PolarSurfaceArea | 55.1 |
| Druglikeness | -3.825 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine | 2 - 3-chloro-N-[(Z)-[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
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