N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-nitrobenzamide
Formula:C15H11N3O4Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-2-nitrobenzamide |
| MolecularFormula | C15H11N3O4Cl2 |
| Smiles | COc(c(/C=N\NC(c(cccc1)c1[N+]([O-])=O)=O)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H11Cl2N3O4/c1-24-14-9(6-10(16)7-12(14)17)8-18-19-15(21)11-4-2-3-5-13(11)20(22)23/h2-8H,1H3,(H,19,21) |
| InChIK | KIJZFVHZYUVQJI-UHFFFAOYSA-N |
| TotalMolweight | 368.175 |
| Molweight | 368.175 |
| MonoisotopicMass | 367.012661 |
| CLogP | 3.422 |
| CLogS | -5.671 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 263.76 |
| Relative PSA | 0.28977 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.78661 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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