2-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide
Formula:C18H12N3O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide |
| MolecularFormula | C18H12N3O3Cl |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1C(N/N=C\c1cccc2ccccc12)=O)=O |
| InChI | InChI=1S/C18H12ClN3O3/c19-17-10-14(22(24)25)8-9-16(17)18(23)21-20-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,21,23) |
| InChIK | PEGNDUKKPUTKFA-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 | 0.6 |
| 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 |
Click to Load Molecule:
1 - 2-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide | 2 - 2-chloro-N-[(Z)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide
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