N-[(Z)-benzylideneamino]-5-chloro-3-phenyl-1H-indole-2-carboxamide
Formula:C22H16N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-benzylideneamino]-5-chloro-3-phenyl-1H-indole-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-5-chloro-3-phenyl-1H-indole-2-carboxamide |
| MolecularFormula | C22H16N3OCl |
| Smiles | O=C(c([nH]c(cc1)c2cc1Cl)c2-c1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C22H16ClN3O/c23-17-11-12-19-18(13-17)20(16-9-5-2-6-10-16)21(25-19)22(27)26-24-14-15-7-3-1-4-8-15/h1-14,25H,(H,26,27) |
| InChIK | RBMINSSYAWZBPU-UHFFFAOYSA-N |
| TotalMolweight | 373.842 |
| Molweight | 373.842 |
| MonoisotopicMass | 373.098189 |
| CLogP | 5.5602 |
| CLogS | -7.092 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 286.34 |
| Relative PSA | 0.17462 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 5.6373 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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