N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2,4-dichlorobenzamide
Formula:C23H17N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2,4-dichlorobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2,4-dichlorobenzamide |
| MolecularFormula | C23H17N3OCl2 |
| Smiles | O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C23H17Cl2N3O/c24-18-10-11-20(21(25)12-18)23(29)27-26-13-17-15-28(14-16-6-2-1-3-7-16)22-9-5-4-8-19(17)22/h1-13,15H,14H2,(H,27,29) |
| InChIK | DSVVJVMJADNKEW-UHFFFAOYSA-N |
| TotalMolweight | 422.314 |
| Molweight | 422.314 |
| MonoisotopicMass | 421.074866 |
| CLogP | 5.9433 |
| CLogS | -6.171 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 315.15 |
| Relative PSA | 0.13606 |
| 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 | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2,4-dichlorobenzamide | 2 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2,4-dichlorobenzamide
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