N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-chlorobenzamide
Formula:C23H18N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-chlorobenzamide is not a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-chlorobenzamide |
| MolecularFormula | C23H18N3OCl |
| Smiles | O=C(c(cccc1)c1Cl)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C23H18ClN3O/c24-21-12-6-4-11-20(21)23(28)26-25-14-18-16-27(15-17-8-2-1-3-9-17)22-13-7-5-10-19(18)22/h1-14,16H,15H2,(H,26,28) |
| InChIK | QYNHVMVODFCSJU-UHFFFAOYSA-N |
| TotalMolweight | 387.869 |
| Molweight | 387.869 |
| MonoisotopicMass | 387.113839 |
| CLogP | 5.3373 |
| CLogS | -5.435 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 299.73 |
| Relative PSA | 0.14306 |
| 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 | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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-chlorobenzamide | 2 - N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-chlorobenzamide
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