N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide
Formula:C23H16N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide is not a drug-like molecule.
| MolName | N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C23H16N4O3Cl2 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C/c1cn(Cc(cc2)cc(Cl)c2Cl)c2c1cccc2)=O)=O |
| InChI | InChI=1S/C23H16Cl2N4O3/c24-20-10-5-15(11-21(20)25)13-28-14-17(19-3-1-2-4-22(19)28)12-26-27-23(30)16-6-8-18(9-7-16)29(31)32/h1-12,14H,13H2,(H,27,30) |
| InChIK | VOHYDTNIUUOZKT-UHFFFAOYSA-N |
| TotalMolweight | 467.311 |
| Molweight | 467.311 |
| MonoisotopicMass | 466.059945 |
| CLogP | 5.0217 |
| CLogS | -6.631 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 338.82 |
| Relative PSA | 0.21634 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | 1.0157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide | 2 - N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide
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