2-bromo-4-nitro-6-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenolate
Formula:C15H11N3O5Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-4-nitro-6-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenolate is a drug-like molecule.
| MolName | 2-bromo-4-nitro-6-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenolate |
| MolecularFormula | C15H11N3O5Br |
| Smiles | [O-]c(c(/C=N\NC(COc1ccccc1)=O)cc([N+]([O-])=O)c1)c1Br |
| InChI | InChI=1S/C15H12BrN3O5/c16-13-7-11(19(22)23)6-10(15(13)21)8-17-18-14(20)9-24-12-4-2-1-3-5-12/h1-8,21H,9H2,(H,18,20)/p-1 |
| InChIK | SZIBHHKJNDVTOT-UHFFFAOYSA-M |
| TotalMolweight | 393.172 |
| Molweight | 393.172 |
| MonoisotopicMass | 391.988208 |
| CLogP | 0.6564 |
| CLogS | -4.499 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 260.58 |
| Relative PSA | 0.34811 |
| PolarSurfaceArea | 119.57 |
| Druglikeness | -2.7238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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