N-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]-1H-indole-2-carboxamide
Formula:C22H15N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]-1H-indole-2-carboxamide is not a drug-like molecule.
| MolName | N-[(E)-[(3,4-dichlorophenyl)-phenylmethylidene]amino]-1H-indole-2-carboxamide |
| MolecularFormula | C22H15N3OCl2 |
| Smiles | O=C(c1cc(cccc2)c2[nH]1)N/N=C(\c1ccccc1)/c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C22H15Cl2N3O/c23-17-11-10-16(12-18(17)24)21(14-6-2-1-3-7-14)26-27-22(28)20-13-15-8-4-5-9-19(15)25-20/h1-13,25H,(H,27,28) |
| InChIK | DWFSCEPYAUJLGV-UHFFFAOYSA-N |
| TotalMolweight | 408.287 |
| Molweight | 408.287 |
| MonoisotopicMass | 407.059216 |
| CLogP | 5.7037 |
| CLogS | -7.518 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 299.97 |
| Relative PSA | 0.16668 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 4.6697 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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