4-bromo-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide
Formula:C14H10N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-bromo-N-[(Z)-(3-hydroxy-4-nitrophenyl)methylideneamino]benzamide |
| MolecularFormula | C14H10N3O4Br |
| Smiles | [O-][N+](c(ccc(/C=N\NC(c(cc1)ccc1Br)=O)c1)c1O)=O |
| InChI | InChI=1S/C14H10BrN3O4/c15-11-4-2-10(3-5-11)14(20)17-16-8-9-1-6-12(18(21)22)13(19)7-9/h1-8,19H,(H,17,20) |
| InChIK | JKRXPLYHGHRQFU-UHFFFAOYSA-N |
| TotalMolweight | 364.154 |
| Molweight | 364.154 |
| MonoisotopicMass | 362.985468 |
| CLogP | 2.6595 |
| CLogS | -4.719 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 235.64 |
| Relative PSA | 0.33751 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -2.5702 |
| 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 | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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