5-nitro-3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-indole-2-carboxamide
Formula:C21H15N5O3
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
5-nitro-3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-indole-2-carboxamide is a drug-like molecule.
| MolName | 5-nitro-3-phenyl-N-[(Z)-pyridin-2-ylmethylideneamino]-1H-indole-2-carboxamide |
| MolecularFormula | C21H15N5O3 |
| Smiles | [O-][N+](c(cc1)cc2c1[nH]c(C(N/N=C\c1ncccc1)=O)c2-c1ccccc1)=O |
| InChI | InChI=1S/C21H15N5O3/c27-21(25-23-13-15-8-4-5-11-22-15)20-19(14-6-2-1-3-7-14)17-12-16(26(28)29)9-10-18(17)24-20/h1-13,24H,(H,25,27) |
| InChIK | ILXKTEYFYKTCDZ-UHFFFAOYSA-N |
| TotalMolweight | 385.382 |
| Molweight | 385.382 |
| MonoisotopicMass | 385.11749 |
| CLogP | 3.0857 |
| CLogS | -6.045 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 293.35 |
| Relative PSA | 0.31154 |
| PolarSurfaceArea | 115.96 |
| Druglikeness | 0.48161 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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