N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-nitrobenzamide
Formula:C14H9N3O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-nitrobenzamide |
| MolecularFormula | C14H9N3O3Cl2 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C/c(ccc(Cl)c1)c1Cl)=O)=O |
| InChI | InChI=1S/C14H9Cl2N3O3/c15-11-4-1-10(13(16)7-11)8-17-18-14(20)9-2-5-12(6-3-9)19(21)22/h1-8H,(H,18,20) |
| InChIK | QHVFCLSKZSLMHR-UHFFFAOYSA-N |
| TotalMolweight | 338.149 |
| Molweight | 338.149 |
| MonoisotopicMass | 337.002096 |
| CLogP | 3.492 |
| CLogS | -5.653 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 241.5 |
| Relative PSA | 0.27507 |
| PolarSurfaceArea | 87.28 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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