2,4-dichloro-N-[(E)-spiro[2H-indene-3,2'-adamantane]-1-ylideneamino]benzamide
Formula:C25H24N2OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(E)-spiro[2H-indene-3,2'-adamantane]-1-ylideneamino]benzamide is not a drug-like molecule.
| MolName | 2,4-dichloro-N-[(E)-spiro[2H-indene-3,2'-adamantane]-1-ylideneamino]benzamide |
| MolecularFormula | C25H24N2OCl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C(\CC12C3CC(C4)CC2CC4C3)/c2c1cccc2 |
| InChI | InChI=1S/C25H24Cl2N2O/c26-18-5-6-20(22(27)12-18)24(30)29-28-23-13-25(21-4-2-1-3-19(21)23)16-8-14-7-15(10-16)11-17(25)9-14/h1-6,12,14-17H,7-11,13H2,(H,29,30) |
| InChIK | CCAMVQMWWBGZLL-UHFFFAOYSA-N |
| TotalMolweight | 439.385 |
| Molweight | 439.385 |
| MonoisotopicMass | 438.126567 |
| CLogP | 6.4189 |
| CLogS | -8.237 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 305.01 |
| Relative PSA | 0.11806 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.6605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 5 |
| StereoCon |
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1 - 2,4-dichloro-N-[(E)-spiro[2H-indene-3,2'-adamantane]-1-ylideneamino]benzamide | 2 - 2,4-dichloro-N-[(E)-spiro[2H-indene-3,2'-adamantane]-1-ylideneamino]benzamide
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