5-bromo-N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
Formula:C22H15N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
5-bromo-N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide |
| MolecularFormula | C22H15N4O3Br |
| Smiles | [O-][N+](c1ccc(/C=N\NC(c([nH]c(cc2)c3cc2Br)c3-c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C22H15BrN4O3/c23-16-8-11-19-18(12-16)20(15-4-2-1-3-5-15)21(25-19)22(28)26-24-13-14-6-9-17(10-7-14)27(29)30/h1-13,25H,(H,26,28) |
| InChIK | AAPXQSJUGGTAHJ-UHFFFAOYSA-N |
| TotalMolweight | 463.29 |
| Molweight | 463.29 |
| MonoisotopicMass | 462.032752 |
| CLogP | 4.7578 |
| CLogS | -7.65 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 313.22 |
| Relative PSA | 0.25675 |
| PolarSurfaceArea | 103.07 |
| Druglikeness | -1.3084 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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