N-[(E)-naphthalen-2-ylmethylideneamino]-4-nitrobenzamide
Formula:C18H13N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-naphthalen-2-ylmethylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(E)-naphthalen-2-ylmethylideneamino]-4-nitrobenzamide |
| MolecularFormula | C18H13N3O3 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C/c1cc2ccccc2cc1)=O)=O |
| InChI | InChI=1S/C18H13N3O3/c22-18(15-7-9-17(10-8-15)21(23)24)20-19-12-13-5-6-14-3-1-2-4-16(14)11-13/h1-12H,(H,20,22) |
| InChIK | MQNNDIHVXJKRMV-UHFFFAOYSA-N |
| TotalMolweight | 319.319 |
| Molweight | 319.319 |
| MonoisotopicMass | 319.095692 |
| CLogP | 3.4744 |
| CLogS | -5.787 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 245.26 |
| Relative PSA | 0.27086 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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