2-indol-1-yl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
Formula:C17H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-indol-1-yl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-indol-1-yl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C17H14N4O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(Cn(cc2)c3c2cccc3)=O)cc1)=O |
| InChI | InChI=1S/C17H14N4O3/c22-17(12-20-10-9-14-3-1-2-4-16(14)20)19-18-11-13-5-7-15(8-6-13)21(23)24/h1-11H,12H2,(H,19,22) |
| InChIK | FWDCOJZARGRQHH-UHFFFAOYSA-N |
| TotalMolweight | 322.323 |
| Molweight | 322.323 |
| MonoisotopicMass | 322.106591 |
| CLogP | 1.9468 |
| CLogS | -3.836 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 248.22 |
| Relative PSA | 0.2953 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | 0.90077 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-indol-1-yl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide | 2 - 2-indol-1-yl-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
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