N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
Formula:C16H14N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C16H14N4O5S |
| Smiles | [O-][N+](c1ccc(CSCC(N/N=C\c2cc([N+]([O-])=O)ccc2)=O)cc1)=O |
| InChI | InChI=1S/C16H14N4O5S/c21-16(11-26-10-12-4-6-14(7-5-12)19(22)23)18-17-9-13-2-1-3-15(8-13)20(24)25/h1-9H,10-11H2,(H,18,21) |
| InChIK | TWSUFBCNWUHDQZ-UHFFFAOYSA-N |
| TotalMolweight | 374.376 |
| Molweight | 374.376 |
| MonoisotopicMass | 374.068491 |
| CLogP | 1.548 |
| CLogS | -5.427 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 279.34 |
| Relative PSA | 0.40932 |
| PolarSurfaceArea | 158.4 |
| Druglikeness | -0.46401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide | 2 - N-[(Z)-(3-nitrophenyl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
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