2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
Formula:C15H11N3O5Br
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate |
| MolecularFormula | C15H11N3O5Br |
| Smiles | [O-]c(cc1)c(/C=N\NC(COc(cc2)ccc2Br)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C15H12BrN3O5/c16-11-1-4-13(5-2-11)24-9-15(21)18-17-8-10-7-12(19(22)23)3-6-14(10)20/h1-8,20H,9H2,(H,18,21)/p-1 |
| InChIK | RYFGQFVBZDQZJV-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 | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 |
Click to Load Molecule:
1 - 2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate | 2 - 2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
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