N-[(Z)-(4-bromo-2-nitrophenyl)methylideneamino]-1H-indole-2-carboxamide
Formula:C16H11N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-2-nitrophenyl)methylideneamino]-1H-indole-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-2-nitrophenyl)methylideneamino]-1H-indole-2-carboxamide |
| MolecularFormula | C16H11N4O3Br |
| Smiles | [O-][N+](c1c(/C=N\NC(c2cc(cccc3)c3[nH]2)=O)ccc(Br)c1)=O |
| InChI | InChI=1S/C16H11BrN4O3/c17-12-6-5-11(15(8-12)21(23)24)9-18-20-16(22)14-7-10-3-1-2-4-13(10)19-14/h1-9,19H,(H,20,22) |
| InChIK | HFQCVVZMUOSWLX-UHFFFAOYSA-N |
| TotalMolweight | 387.192 |
| Molweight | 387.192 |
| MonoisotopicMass | 386.001452 |
| CLogP | 3.0986 |
| CLogS | -5.564 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 253.46 |
| Relative PSA | 0.31729 |
| PolarSurfaceArea | 103.07 |
| Druglikeness | -1.3206 |
| 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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