N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide
Formula:C16H11N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide |
| MolecularFormula | C16H11N3OCl2 |
| Smiles | O=C(c1c2[nH]ccc2ccc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C16H11Cl2N3O/c17-13-5-4-10(8-14(13)18)9-20-21-16(22)12-3-1-2-11-6-7-19-15(11)12/h1-9,19H,(H,21,22) |
| InChIK | CTNPVCJQHQDMRW-UHFFFAOYSA-N |
| TotalMolweight | 332.189 |
| Molweight | 332.189 |
| MonoisotopicMass | 331.027916 |
| CLogP | 4.453 |
| CLogS | -5.718 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 242 |
| Relative PSA | 0.20661 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 4.6125 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1H-indole-7-carboxamide
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