(1Z)-2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide
Formula:C14H11N4O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide is a drug-like molecule.
| MolName | (1Z)-2-anilino-N-(4-nitrophenyl)-2-oxoethanehydrazonoyl bromide |
| MolecularFormula | C14H11N4O3Br |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C(/C(Nc1ccccc1)=O)\Br)=O |
| InChI | InChI=1S/C14H11BrN4O3/c15-13(14(20)16-10-4-2-1-3-5-10)18-17-11-6-8-12(9-7-11)19(21)22/h1-9,17H,(H,16,20) |
| InChIK | QYCDUIDTGPXYGM-UHFFFAOYSA-N |
| TotalMolweight | 363.17 |
| Molweight | 363.17 |
| MonoisotopicMass | 362.001452 |
| CLogP | 2.9263 |
| CLogS | -3.32 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 238.96 |
| Relative PSA | 0.32595 |
| PolarSurfaceArea | 99.31 |
| Druglikeness | -8.5951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-halogenide type; aromatic nitro |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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