4-bromo-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide
Formula:C27H20N3OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-bromo-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C27H20N3OBr |
| Smiles | O=C(c(cc1)ccc1Br)N/N=C\c1cn(Cc2cccc3ccccc23)c2c1cccc2 |
| InChI | InChI=1S/C27H20BrN3O/c28-23-14-12-20(13-15-23)27(32)30-29-16-22-18-31(26-11-4-3-10-25(22)26)17-21-8-5-7-19-6-1-2-9-24(19)21/h1-16,18H,17H2,(H,30,32) |
| InChIK | BJRGMSSFGXCSEU-UHFFFAOYSA-N |
| TotalMolweight | 482.38 |
| Molweight | 482.38 |
| MonoisotopicMass | 481.078973 |
| CLogP | 6.6509 |
| CLogS | -7.139 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 337.54 |
| Relative PSA | 0.12704 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 4.3617 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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