N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]naphthalen-2-amine
Formula:C21H15N2OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]naphthalen-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]naphthalen-2-amine |
| MolecularFormula | C21H15N2OBr |
| Smiles | Brc(cc1)ccc1-c1ccc(/C=N\Nc2cc3ccccc3cc2)o1 |
| InChI | InChI=1S/C21H15BrN2O/c22-18-8-5-16(6-9-18)21-12-11-20(25-21)14-23-24-19-10-7-15-3-1-2-4-17(15)13-19/h1-14,24H |
| InChIK | ATKJNYZIWRLQBN-UHFFFAOYSA-N |
| TotalMolweight | 391.267 |
| Molweight | 391.267 |
| MonoisotopicMass | 390.036774 |
| CLogP | 7.6994 |
| CLogS | -7.049 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 271.92 |
| Relative PSA | 0.13636 |
| PolarSurfaceArea | 37.53 |
| Druglikeness | 2.5845 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| StereoCon |
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