4-nitro-N-[(Z)-1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline
Formula:C21H15N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-N-[(Z)-1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline is not a drug-like molecule.
| MolName | 4-nitro-N-[(Z)-1-(4-nitrophenyl)-3-(4-nitrophenyl)iminoprop-1-enyl]aniline |
| MolecularFormula | C21H15N5O6 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/Nc(cc1)ccc1[N+]([O-])=O)=C/C=N\c(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C21H15N5O6/c27-24(28)18-7-1-15(2-8-18)21(23-17-5-11-20(12-6-17)26(31)32)13-14-22-16-3-9-19(10-4-16)25(29)30/h1-14,23H |
| InChIK | RDYVHGRXIBUGHU-UHFFFAOYSA-N |
| TotalMolweight | 433.379 |
| Molweight | 433.379 |
| MonoisotopicMass | 433.102235 |
| CLogP | 1.2442 |
| CLogS | -5.862 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 324.72 |
| Relative PSA | 0.35178 |
| PolarSurfaceArea | 161.85 |
| Druglikeness | -4.155 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 3 |
| StereoCon |
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