N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-thiophen-2-yl-1H-indole-7-carboxamide
Formula:C20H13N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-thiophen-2-yl-1H-indole-7-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-thiophen-2-yl-1H-indole-7-carboxamide |
| MolecularFormula | C20H13N3OCl2S |
| Smiles | O=C(c1c2[nH]c(-c3cccs3)cc2ccc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C20H13Cl2N3OS/c21-15-7-6-12(9-16(15)22)11-23-25-20(26)14-4-1-3-13-10-17(24-19(13)14)18-5-2-8-27-18/h1-11,24H,(H,25,26) |
| InChIK | BWLJUEBPFMAQSW-UHFFFAOYSA-N |
| TotalMolweight | 414.315 |
| Molweight | 414.315 |
| MonoisotopicMass | 413.015636 |
| CLogP | 6.2267 |
| CLogS | -7.417 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 297.7 |
| Relative PSA | 0.23635 |
| PolarSurfaceArea | 85.49 |
| Druglikeness | 6.5118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-thiophen-2-yl-1H-indole-7-carboxamide | 2 - N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-2-thiophen-2-yl-1H-indole-7-carboxamide
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