(1Z)-7-chloro-1-[(4-chlorophenyl)methylidene]-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole
Formula:C17H12N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-7-chloro-1-[(4-chlorophenyl)methylidene]-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole is not a drug-like molecule.
| MolName | (1Z)-7-chloro-1-[(4-chlorophenyl)methylidene]-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole |
| MolecularFormula | C17H12N2OCl2 |
| Smiles | Clc1ccc(/C=C2\OCCn3c2nc(cc2)c3cc2Cl)cc1 |
| InChI | InChI=1S/C17H12Cl2N2O/c18-12-3-1-11(2-4-12)9-16-17-20-14-6-5-13(19)10-15(14)21(17)7-8-22-16/h1-6,9-10H,7-8H2 |
| InChIK | PKIKAGWBJUSYRR-UHFFFAOYSA-N |
| TotalMolweight | 331.201 |
| Molweight | 331.201 |
| MonoisotopicMass | 330.032667 |
| CLogP | 5.0979 |
| CLogS | -3.894 |
| H Acceptors | 3 |
| TotalSurfaceArea | 235.15 |
| Relative PSA | 0.11839 |
| PolarSurfaceArea | 27.05 |
| Druglikeness | 2.612 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (1Z)-7-chloro-1-[(4-chlorophenyl)methylidene]-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole | 2 - (1Z)-7-chloro-1-[(4-chlorophenyl)methylidene]-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole
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