5-bromo-N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
Formula:C22H15N3OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-bromo-N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is not a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(2-chlorophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide |
| MolecularFormula | C22H15N3OBrCl |
| Smiles | O=C(c([nH]c(cc1)c2cc1Br)c2-c1ccccc1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C22H15BrClN3O/c23-16-10-11-19-17(12-16)20(14-6-2-1-3-7-14)21(26-19)22(28)27-25-13-15-8-4-5-9-18(15)24/h1-13,26H,(H,27,28) |
| InChIK | UGBITCZJVFUONY-UHFFFAOYSA-N |
| TotalMolweight | 452.738 |
| Molweight | 452.738 |
| MonoisotopicMass | 451.0087 |
| CLogP | 6.2854 |
| CLogS | -7.926 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 304.97 |
| Relative PSA | 0.16395 |
| PolarSurfaceArea | 57.25 |
| Druglikeness | 3.8473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| 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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