N-[(Z)-benzylideneamino]-2-phenothiazin-10-ylacetamide
Formula:C21H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-benzylideneamino]-2-phenothiazin-10-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2-phenothiazin-10-ylacetamide |
| MolecularFormula | C21H17N3OS |
| Smiles | O=C(CN1c(cccc2)c2Sc2c1cccc2)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C21H17N3OS/c25-21(23-22-14-16-8-2-1-3-9-16)15-24-17-10-4-6-12-19(17)26-20-13-7-5-11-18(20)24/h1-14H,15H2,(H,23,25) |
| InChIK | IYUCZHRKBBKRHQ-UHFFFAOYSA-N |
| TotalMolweight | 359.452 |
| Molweight | 359.452 |
| MonoisotopicMass | 359.109232 |
| CLogP | 5.0336 |
| CLogS | -6.239 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.8 |
| Relative PSA | 0.20761 |
| PolarSurfaceArea | 70 |
| Druglikeness | 6.2176 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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