N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]aniline
Formula:C17H14N3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]aniline |
| MolecularFormula | C17H14N3Br |
| Smiles | Brc(cc1)ccc1-n1c(/C=N\Nc2ccccc2)ccc1 |
| InChI | InChI=1S/C17H14BrN3/c18-14-8-10-16(11-9-14)21-12-4-7-17(21)13-19-20-15-5-2-1-3-6-15/h1-13,20H |
| InChIK | PWUDKAKEIGAPKZ-UHFFFAOYSA-N |
| TotalMolweight | 340.223 |
| Molweight | 340.223 |
| MonoisotopicMass | 339.037108 |
| CLogP | 5.805 |
| CLogS | -6.32 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 236.83 |
| Relative PSA | 0.126 |
| PolarSurfaceArea | 29.32 |
| Druglikeness | 1.9561 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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