N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
Formula:C23H17N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide |
| MolecularFormula | C23H17N3O3 |
| Smiles | [O-][N+](c1ccc(CC(N/N=C\c2c(cccc3)c3cc3ccccc23)=O)cc1)=O |
| InChI | InChI=1S/C23H17N3O3/c27-23(13-16-9-11-19(12-10-16)26(28)29)25-24-15-22-20-7-3-1-5-17(20)14-18-6-2-4-8-21(18)22/h1-12,14-15H,13H2,(H,25,27) |
| InChIK | FOMNFCASZRXNQF-UHFFFAOYSA-N |
| TotalMolweight | 383.406 |
| Molweight | 383.406 |
| MonoisotopicMass | 383.126992 |
| CLogP | 4.6669 |
| CLogS | -7.358 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 293.62 |
| Relative PSA | 0.22624 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.79406 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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