2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C19H14N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C19H14N4O2 |
| Smiles | O=C(CN(c1c(c2ccc3)c3ccc1)C2=O)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C19H14N4O2/c24-17(22-21-11-13-7-9-20-10-8-13)12-23-16-6-2-4-14-3-1-5-15(18(14)16)19(23)25/h1-11H,12H2,(H,22,24) |
| InChIK | RSEZMIPOYIBPMP-UHFFFAOYSA-N |
| TotalMolweight | 330.346 |
| Molweight | 330.346 |
| MonoisotopicMass | 330.111676 |
| CLogP | 2.5187 |
| CLogS | -4.696 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 248.66 |
| Relative PSA | 0.25565 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | 6.4978 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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