[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino] 2,4-dichlorobenzoate
Formula:C19H17N3O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino] 2,4-dichlorobenzoate |
| MolecularFormula | C19H17N3O4Cl2 |
| Smiles | [O-][N+](c(cc(/C=N\OC(c(ccc(Cl)c1)c1Cl)=O)cc1)c1N1CCCCC1)=O |
| InChI | InChI=1S/C19H17Cl2N3O4/c20-14-5-6-15(16(21)11-14)19(25)28-22-12-13-4-7-17(18(10-13)24(26)27)23-8-2-1-3-9-23/h4-7,10-12H,1-3,8-9H2 |
| InChIK | MLQFPSXUTRRBMB-UHFFFAOYSA-N |
| TotalMolweight | 422.267 |
| Molweight | 422.267 |
| MonoisotopicMass | 421.059611 |
| CLogP | 5.0415 |
| CLogS | -6.695 |
| H Acceptors | 7 |
| TotalSurfaceArea | 305.64 |
| Relative PSA | 0.22419 |
| PolarSurfaceArea | 87.72 |
| Druglikeness | -7.1978 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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