N-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
Formula:C18H12N3O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]naphthalene-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-chloro-2-nitrophenyl)methylideneamino]naphthalene-1-carboxamide |
| MolecularFormula | C18H12N3O3Cl |
| Smiles | [O-][N+](c(cc1)c(/C=N\NC(c2cccc3ccccc23)=O)cc1Cl)=O |
| InChI | InChI=1S/C18H12ClN3O3/c19-14-8-9-17(22(24)25)13(10-14)11-20-21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,21,23) |
| InChIK | FDEBZRKOCGUJGS-UHFFFAOYSA-N |
| TotalMolweight | 353.764 |
| Molweight | 353.764 |
| MonoisotopicMass | 353.056719 |
| CLogP | 4.0804 |
| CLogS | -6.523 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.68 |
| Relative PSA | 0.25483 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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