5-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
Formula:C22H15N5O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide |
| MolecularFormula | C22H15N5O5 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c([nH]c(cc2)c3cc2[N+]([O-])=O)c3-c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C22H15N5O5/c28-22(25-23-13-14-6-8-16(9-7-14)26(29)30)21-20(15-4-2-1-3-5-15)18-12-17(27(31)32)10-11-19(18)24-21/h1-13,24H,(H,25,28) |
| InChIK | FNYVXLYGXZNEIJ-UHFFFAOYSA-N |
| TotalMolweight | 429.391 |
| Molweight | 429.391 |
| MonoisotopicMass | 429.10732 |
| CLogP | 3.111 |
| CLogS | -7.276 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 318.26 |
| Relative PSA | 0.34827 |
| PolarSurfaceArea | 148.89 |
| Druglikeness | 0.48161 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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