N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3,5-dinitrobenzamide
Formula:C14H8N4O5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3,5-dinitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3,5-dinitrobenzamide |
| MolecularFormula | C14H8N4O5Cl2 |
| Smiles | [O-][N+](c1cc(C(N/N=C\c(c(Cl)ccc2)c2Cl)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C14H8Cl2N4O5/c15-12-2-1-3-13(16)11(12)7-17-18-14(21)8-4-9(19(22)23)6-10(5-8)20(24)25/h1-7H,(H,18,21) |
| InChIK | SLEGGHNVEUMMND-UHFFFAOYSA-N |
| TotalMolweight | 383.147 |
| Molweight | 383.147 |
| MonoisotopicMass | 381.987175 |
| CLogP | 2.5704 |
| CLogS | -6.113 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 265.17 |
| Relative PSA | 0.36524 |
| PolarSurfaceArea | 133.1 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| AcidicOxygens | 2 |
| StereoCon |
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