2,4-dichloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
Formula:C23H15N3OCl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dichloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 2,4-dichloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C23H15N3OCl4 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c1cn(Cc(cc2)cc(Cl)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C23H15Cl4N3O/c24-16-6-7-18(20(26)10-16)23(31)29-28-11-15-13-30(22-4-2-1-3-17(15)22)12-14-5-8-19(25)21(27)9-14/h1-11,13H,12H2,(H,29,31) |
| InChIK | WJEBYHBNUPAAGU-UHFFFAOYSA-N |
| TotalMolweight | 491.204 |
| Molweight | 491.204 |
| MonoisotopicMass | 488.99692 |
| CLogP | 7.1553 |
| CLogS | -7.643 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 345.99 |
| Relative PSA | 0.12393 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 6.1595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,4-dichloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide | 2 - 2,4-dichloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
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