N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenothiazin-10-ylacetamide
Formula:C21H16N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenothiazin-10-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenothiazin-10-ylacetamide |
| MolecularFormula | C21H16N3OClS |
| Smiles | O=C(CN1c(cccc2)c2Sc2c1cccc2)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C21H16ClN3OS/c22-16-11-9-15(10-12-16)13-23-24-21(26)14-25-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)25/h1-13H,14H2,(H,24,26) |
| InChIK | NCVYEHIMKMRBGA-UHFFFAOYSA-N |
| TotalMolweight | 393.897 |
| Molweight | 393.897 |
| MonoisotopicMass | 393.070259 |
| CLogP | 5.6396 |
| CLogS | -6.975 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 290.22 |
| Relative PSA | 0.19658 |
| PolarSurfaceArea | 70 |
| Druglikeness | 6.2317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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