N-[(Z)-(4-chlorophenyl)methylideneamino]-2-hydroxy-3,5-dinitrobenzamide
Formula:C14H9N4O6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-hydroxy-3,5-dinitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-hydroxy-3,5-dinitrobenzamide |
| MolecularFormula | C14H9N4O6Cl |
| Smiles | [O-][N+](c(cc1[N+]([O-])=O)cc(C(N/N=C\c(cc2)ccc2Cl)=O)c1O)=O |
| InChI | InChI=1S/C14H9ClN4O6/c15-9-3-1-8(2-4-9)7-16-17-14(21)11-5-10(18(22)23)6-12(13(11)20)19(24)25/h1-7,20H,(H,17,21) |
| InChIK | GDJBMXYCCNUIMB-UHFFFAOYSA-N |
| TotalMolweight | 364.7 |
| Molweight | 364.7 |
| MonoisotopicMass | 364.021063 |
| CLogP | 1.6187 |
| CLogS | -5.081 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 256.1 |
| Relative PSA | 0.42932 |
| PolarSurfaceArea | 153.33 |
| Druglikeness | -0.7535 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| 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 | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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