N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
Formula:C19H14N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-naphthalen-1-ylsulfanylacetamide |
| MolecularFormula | C19H14N3O3ClS |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CSc2cccc3ccccc23)=O)c1Cl)=O |
| InChI | InChI=1S/C19H14ClN3O3S/c20-17-9-8-15(23(25)26)10-14(17)11-21-22-19(24)12-27-18-7-3-5-13-4-1-2-6-16(13)18/h1-11H,12H2,(H,22,24) |
| InChIK | IZJYDRUAIPHZNY-UHFFFAOYSA-N |
| TotalMolweight | 399.857 |
| Molweight | 399.857 |
| MonoisotopicMass | 399.044439 |
| CLogP | 4.2932 |
| CLogS | -7.065 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 291.93 |
| Relative PSA | 0.28747 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -0.32474 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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