N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
Formula:C23H17N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide |
| MolecularFormula | C23H17N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1OCC(N/N=C\c1c(cccc2)c2cc2ccccc12)=O)=O |
| InChI | InChI=1S/C23H17N3O4/c27-23(15-30-19-11-9-18(10-12-19)26(28)29)25-24-14-22-20-7-3-1-5-16(20)13-17-6-2-4-8-21(17)22/h1-14H,15H2,(H,25,27) |
| InChIK | KBJBJUVJNJCRJJ-UHFFFAOYSA-N |
| TotalMolweight | 399.405 |
| Molweight | 399.405 |
| MonoisotopicMass | 399.121907 |
| CLogP | 4.2437 |
| CLogS | -7.173 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.62 |
| Relative PSA | 0.25173 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.93238 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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