N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
Formula:C22H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide |
| MolecularFormula | C22H16N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c([nH]c2c3cccc2)c3-c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C22H16N4O3/c27-22(25-23-14-15-10-12-17(13-11-15)26(28)29)21-20(16-6-2-1-3-7-16)18-8-4-5-9-19(18)24-21/h1-14,24H,(H,25,27) |
| InChIK | COZBWXMLMYXUOO-UHFFFAOYSA-N |
| TotalMolweight | 384.394 |
| Molweight | 384.394 |
| MonoisotopicMass | 384.122241 |
| CLogP | 4.0326 |
| CLogS | -6.816 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 294.59 |
| Relative PSA | 0.27299 |
| PolarSurfaceArea | 103.07 |
| Druglikeness | 0.48161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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