N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chloro-2-nitrophenoxy)acetamide
Formula:C24H19N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chloro-2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chloro-2-nitrophenoxy)acetamide |
| MolecularFormula | C24H19N4O4Cl |
| Smiles | [O-][N+](c(cc(cc1)Cl)c1OCC(N/N=C\c1cn(Cc2ccccc2)c2c1cccc2)=O)=O |
| InChI | InChI=1S/C24H19ClN4O4/c25-19-10-11-23(22(12-19)29(31)32)33-16-24(30)27-26-13-18-15-28(14-17-6-2-1-3-7-17)21-9-5-4-8-20(18)21/h1-13,15H,14,16H2,(H,27,30) |
| InChIK | VDNKOWQCOHXBJW-UHFFFAOYSA-N |
| TotalMolweight | 462.892 |
| Molweight | 462.892 |
| MonoisotopicMass | 462.109483 |
| CLogP | 3.9906 |
| CLogS | -5.675 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 347.16 |
| Relative PSA | 0.23995 |
| PolarSurfaceArea | 101.44 |
| Druglikeness | 0.8747 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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