N-[(Z)-(4-bromophenyl)methylideneamino]-3,5-dinitrobenzamide
Formula:C14H9N4O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3,5-dinitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3,5-dinitrobenzamide |
| MolecularFormula | C14H9N4O5Br |
| Smiles | [O-][N+](c1cc(C(N/N=C\c(cc2)ccc2Br)=O)cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C14H9BrN4O5/c15-11-3-1-9(2-4-11)8-16-17-14(20)10-5-12(18(21)22)7-13(6-10)19(23)24/h1-8H,(H,17,20) |
| InChIK | TYQBTRPGPZBUJC-UHFFFAOYSA-N |
| TotalMolweight | 393.152 |
| Molweight | 393.152 |
| MonoisotopicMass | 391.975632 |
| CLogP | 2.0836 |
| CLogS | -5.475 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 252.96 |
| Relative PSA | 0.38287 |
| PolarSurfaceArea | 133.1 |
| Druglikeness | -2.543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-3,5-dinitrobenzamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-3,5-dinitrobenzamide
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