N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide
Formula:C16H11N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1H-indole-3-carboxamide |
| MolecularFormula | C16H11N4O3Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1c[nH]c2c1cccc2)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C16H11ClN4O3/c17-13-6-5-10(7-15(13)21(23)24)8-19-20-16(22)12-9-18-14-4-2-1-3-11(12)14/h1-9,18H,(H,20,22) |
| InChIK | AKRIJYUWXRBSNF-UHFFFAOYSA-N |
| TotalMolweight | 342.741 |
| Molweight | 342.741 |
| MonoisotopicMass | 342.051968 |
| CLogP | 2.9254 |
| CLogS | -5.442 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 250.25 |
| Relative PSA | 0.32136 |
| PolarSurfaceArea | 103.07 |
| Druglikeness | 0.33972 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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