N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,5-dichloropyridin-4-amine
Formula:C10H6N3BrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,5-dichloropyridin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-3,5-dichloropyridin-4-amine |
| MolecularFormula | C10H6N3BrCl2S |
| Smiles | Clc1cncc(Cl)c1N/N=C\c1cc(Br)cs1 |
| InChI | InChI=1S/C10H6BrCl2N3S/c11-6-1-7(17-5-6)2-15-16-10-8(12)3-14-4-9(10)13/h1-5H,(H,14,16) |
| InChIK | CMAPJRSVMIIZKO-UHFFFAOYSA-N |
| TotalMolweight | 351.055 |
| Molweight | 351.055 |
| MonoisotopicMass | 348.884282 |
| CLogP | 5.6438 |
| CLogS | -4.67 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 213.41 |
| Relative PSA | 0.25444 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | -1.7633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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