N-[2-[[(Z)-anthracen-9-ylmethylideneamino]carbamoyl]phenyl]furan-2-carboxamide
Formula:C27H19N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-[[(Z)-anthracen-9-ylmethylideneamino]carbamoyl]phenyl]furan-2-carboxamide is not a drug-like molecule.
| MolName | N-[2-[[(Z)-anthracen-9-ylmethylideneamino]carbamoyl]phenyl]furan-2-carboxamide |
| MolecularFormula | C27H19N3O3 |
| Smiles | O=C(c1ccco1)Nc(cccc1)c1C(N/N=C\c1c(cccc2)c2cc2ccccc12)=O |
| InChI | InChI=1S/C27H19N3O3/c31-26(22-12-5-6-13-24(22)29-27(32)25-14-7-15-33-25)30-28-17-23-20-10-3-1-8-18(20)16-19-9-2-4-11-21(19)23/h1-17H,(H,29,32)(H,30,31) |
| InChIK | UHBKXQUZCHQNJO-UHFFFAOYSA-N |
| TotalMolweight | 433.466 |
| Molweight | 433.466 |
| MonoisotopicMass | 433.142642 |
| CLogP | 5.9266 |
| CLogS | -8.127 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.85 |
| Relative PSA | 0.22285 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 4.8566 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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