N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenothiazin-10-ylacetamide
Formula:C21H16N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenothiazin-10-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenothiazin-10-ylacetamide |
| MolecularFormula | C21H16N4O3S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CN2c(cccc3)c3Sc3c2cccc3)=O)cc1)=O |
| InChI | InChI=1S/C21H16N4O3S/c26-21(23-22-13-15-9-11-16(12-10-15)25(27)28)14-24-17-5-1-3-7-19(17)29-20-8-4-2-6-18(20)24/h1-13H,14H2,(H,23,26) |
| InChIK | YBXHHZVHHDHTOD-UHFFFAOYSA-N |
| TotalMolweight | 404.449 |
| Molweight | 404.449 |
| MonoisotopicMass | 404.094311 |
| CLogP | 4.112 |
| CLogS | -6.699 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 298.47 |
| Relative PSA | 0.29306 |
| PolarSurfaceArea | 115.82 |
| Druglikeness | 1.0841 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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