N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(1H-indol-3-yl)acetamide
Formula:C21H16N3O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(1H-indol-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(1H-indol-3-yl)acetamide |
| MolecularFormula | C21H16N3O2Br |
| Smiles | O=C(Cc1c[nH]c2c1cccc2)N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
| InChI | InChI=1S/C21H16BrN3O2/c22-16-7-5-14(6-8-16)20-10-9-17(27-20)13-24-25-21(26)11-15-12-23-19-4-2-1-3-18(15)19/h1-10,12-13,23H,11H2,(H,25,26) |
| InChIK | ZQGWVYUWACQXKV-UHFFFAOYSA-N |
| TotalMolweight | 422.281 |
| Molweight | 422.281 |
| MonoisotopicMass | 421.042588 |
| CLogP | 4.9032 |
| CLogS | -6.505 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 293 |
| Relative PSA | 0.21881 |
| PolarSurfaceArea | 70.39 |
| Druglikeness | 5.0981 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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