N-[(Z)-anthracen-9-ylmethylideneamino]-3-nitrobenzamide
Formula:C22H15N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-3-nitrobenzamide |
| MolecularFormula | C22H15N3O3 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c2c(cccc3)c3cc3ccccc23)=O)ccc1)=O |
| InChI | InChI=1S/C22H15N3O3/c26-22(17-8-5-9-18(13-17)25(27)28)24-23-14-21-19-10-3-1-6-15(19)12-16-7-2-4-11-20(16)21/h1-14H,(H,24,26) |
| InChIK | PKPSCPFANOSOEV-UHFFFAOYSA-N |
| TotalMolweight | 369.379 |
| Molweight | 369.379 |
| MonoisotopicMass | 369.111342 |
| CLogP | 4.6688 |
| CLogS | -7.393 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 279.86 |
| Relative PSA | 0.23737 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.75305 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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