N-[(Z)-[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-4-nitrobenzamide
Formula:C24H19N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C24H19N5O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1cn(CC(Nc2ccccc2)=O)c2c1cccc2)=O)=O |
| InChI | InChI=1S/C24H19N5O4/c30-23(26-19-6-2-1-3-7-19)16-28-15-18(21-8-4-5-9-22(21)28)14-25-27-24(31)17-10-12-20(13-11-17)29(32)33/h1-15H,16H2,(H,26,30)(H,27,31) |
| InChIK | NQLGUWYNAAWWGU-UHFFFAOYSA-N |
| TotalMolweight | 441.446 |
| Molweight | 441.446 |
| MonoisotopicMass | 441.143705 |
| CLogP | 3.0943 |
| CLogS | -5.348 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 337.19 |
| Relative PSA | 0.29004 |
| PolarSurfaceArea | 121.31 |
| Druglikeness | 1.6539 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-[1-(2-anilino-2-oxoethyl)indol-3-yl]methylideneamino]-4-nitrobenzamide
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