4-bromo-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]aniline
Formula:C18H14N3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]aniline is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]aniline |
| MolecularFormula | C18H14N3Br |
| Smiles | Brc(cc1)ccc1N/N=C(/c1ccccc1)\c1ncccc1 |
| InChI | InChI=1S/C18H14BrN3/c19-15-9-11-16(12-10-15)21-22-18(14-6-2-1-3-7-14)17-8-4-5-13-20-17/h1-13,21H |
| InChIK | ABQFUUYQWSDKAP-UHFFFAOYSA-N |
| TotalMolweight | 352.234 |
| Molweight | 352.234 |
| MonoisotopicMass | 351.037108 |
| CLogP | 5.8159 |
| CLogS | -4.988 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 244.6 |
| Relative PSA | 0.13876 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -0.50905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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