N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide
Formula:C23H17N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C23H17N4O3Cl |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c1cn(Cc(cc2)ccc2Cl)c2c1cccc2)=O)=O |
| InChI | InChI=1S/C23H17ClN4O3/c24-19-9-5-16(6-10-19)14-27-15-18(21-3-1-2-4-22(21)27)13-25-26-23(29)17-7-11-20(12-8-17)28(30)31/h1-13,15H,14H2,(H,26,29) |
| InChIK | CNVHEMNMJFIMCP-UHFFFAOYSA-N |
| TotalMolweight | 432.866 |
| Molweight | 432.866 |
| MonoisotopicMass | 432.098918 |
| CLogP | 4.4157 |
| CLogS | -5.895 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 323.4 |
| Relative PSA | 0.22665 |
| 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 | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide | 2 - N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4-nitrobenzamide
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