N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]aniline
Formula:C17H13N2OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]aniline |
| MolecularFormula | C17H13N2OBr |
| Smiles | Brc(cc1)ccc1-c1ccc(/C=N\Nc2ccccc2)o1 |
| InChI | InChI=1S/C17H13BrN2O/c18-14-8-6-13(7-9-14)17-11-10-16(21-17)12-19-20-15-4-2-1-3-5-15/h1-12,20H |
| InChIK | MEPJYAICGBUJSI-UHFFFAOYSA-N |
| TotalMolweight | 341.207 |
| Molweight | 341.207 |
| MonoisotopicMass | 340.021124 |
| CLogP | 6.505 |
| CLogS | -5.443 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 237.32 |
| Relative PSA | 0.15624 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 2.5845 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| 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 |
| StereoCon |
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