N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
Formula:C15H10N3BrClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C15H10N3BrClF3 |
| Smiles | FC(c(cc1Cl)cnc1N/N=C\C(\Br)=C\c1ccccc1)(F)F |
| InChI | InChI=1S/C15H10BrClF3N3/c16-12(6-10-4-2-1-3-5-10)9-22-23-14-13(17)7-11(8-21-14)15(18,19)20/h1-9H,(H,21,23) |
| InChIK | AUGIQNWAYZYGQY-UHFFFAOYSA-N |
| TotalMolweight | 404.616 |
| Molweight | 404.616 |
| MonoisotopicMass | 402.969869 |
| CLogP | 6.2566 |
| CLogS | -5.518 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 256.22 |
| Relative PSA | 0.13246 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -9.981 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-chloro-5-(trifluoromethyl)pyridin-2-amine
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