N-[(Z)-(4-bromophenyl)methylideneamino]benzo[cd]indol-2-amine
Formula:C18H12N3Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]benzo[cd]indol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]benzo[cd]indol-2-amine |
| MolecularFormula | C18H12N3Br |
| Smiles | Brc1ccc(/C=N\NC(c2ccc3)=Nc4c2c3ccc4)cc1 |
| InChI | InChI=1S/C18H12BrN3/c19-14-9-7-12(8-10-14)11-20-22-18-15-5-1-3-13-4-2-6-16(21-18)17(13)15/h1-11H,(H,21,22) |
| InChIK | TUDWHHMLHHVTDZ-UHFFFAOYSA-N |
| TotalMolweight | 350.218 |
| Molweight | 350.218 |
| MonoisotopicMass | 349.021458 |
| CLogP | 4.7784 |
| CLogS | -6.293 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.94 |
| Relative PSA | 0.14866 |
| PolarSurfaceArea | 36.75 |
| Druglikeness | 0.83529 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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