N-[(Z)-[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylideneamino]-N-phenylaniline
Formula:C23H16N3O3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylideneamino]-N-phenylaniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylideneamino]-N-phenylaniline |
| MolecularFormula | C23H16N3O3Br |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\N(c3ccccc3)c3ccccc3)o2)c1Br)=O |
| InChI | InChI=1S/C23H16BrN3O3/c24-22-13-11-19(27(28)29)15-21(22)23-14-12-20(30-23)16-25-26(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16H |
| InChIK | FUBIBWOPQNBVMK-UHFFFAOYSA-N |
| TotalMolweight | 462.302 |
| Molweight | 462.302 |
| MonoisotopicMass | 461.037503 |
| CLogP | 5.9713 |
| CLogS | -8.48 |
| H Acceptors | 6 |
| TotalSurfaceArea | 319.59 |
| Relative PSA | 0.18646 |
| PolarSurfaceArea | 74.56 |
| Druglikeness | -1.2447 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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