[(Z)-[(4-nitrophenyl)-pyridin-4-ylmethylidene]amino] 2,4-dichlorobenzoate
Formula:C19H11N3O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[(4-nitrophenyl)-pyridin-4-ylmethylidene]amino] 2,4-dichlorobenzoate is a drug-like molecule.
| MolName | [(Z)-[(4-nitrophenyl)-pyridin-4-ylmethylidene]amino] 2,4-dichlorobenzoate |
| MolecularFormula | C19H11N3O4Cl2 |
| Smiles | [O-][N+](c(cc1)ccc1/C(/c1ccncc1)=N/OC(c(ccc(Cl)c1)c1Cl)=O)=O |
| InChI | InChI=1S/C19H11Cl2N3O4/c20-14-3-6-16(17(21)11-14)19(25)28-23-18(13-7-9-22-10-8-13)12-1-4-15(5-2-12)24(26)27/h1-11H |
| InChIK | DFHHBLUIFIZWBI-UHFFFAOYSA-N |
| TotalMolweight | 416.219 |
| Molweight | 416.219 |
| MonoisotopicMass | 415.012661 |
| CLogP | 4.4043 |
| CLogS | -6.684 |
| H Acceptors | 7 |
| TotalSurfaceArea | 296.77 |
| Relative PSA | 0.25589 |
| PolarSurfaceArea | 97.37 |
| Druglikeness | -7.5805 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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