N-[(Z)-(4-bromophenyl)methylideneamino]-3,5-dichloropyridin-2-amine
Formula:C12H8N3BrCl2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
N-[(Z)-(4-bromophenyl)methylideneamino]-3,5-dichloropyridin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3,5-dichloropyridin-2-amine |
| MolecularFormula | C12H8N3BrCl2 |
| Smiles | Clc(cc1Cl)cnc1N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C12H8BrCl2N3/c13-9-3-1-8(2-4-9)6-17-18-12-11(15)5-10(14)7-16-12/h1-7H,(H,16,18) |
| InChIK | SOAJXFLTSWMYND-UHFFFAOYSA-N |
| TotalMolweight | 345.027 |
| Molweight | 345.027 |
| MonoisotopicMass | 342.927862 |
| CLogP | 6.1286 |
| CLogS | -5.185 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 217.47 |
| Relative PSA | 0.15607 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 0.59454 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-3,5-dichloropyridin-2-amine | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-3,5-dichloropyridin-2-amine
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