2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-chloro-6-nitrophenolate
Formula:C14H8N3O4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-chloro-6-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-chloro-6-nitrophenolate |
| MolecularFormula | C14H8N3O4BrCl |
| Smiles | [O-]c(c([N+]([O-])=O)c1)c(/C=N\NC(c2cccc(Br)c2)=O)cc1Cl |
| InChI | InChI=1S/C14H9BrClN3O4/c15-10-3-1-2-8(4-10)14(21)18-17-7-9-5-11(16)6-12(13(9)20)19(22)23/h1-7,20H,(H,18,21)/p-1 |
| InChIK | QCZOYYTZLAOIMR-UHFFFAOYSA-M |
| TotalMolweight | 397.592 |
| Molweight | 397.592 |
| MonoisotopicMass | 395.93867 |
| CLogP | 1.6875 |
| CLogS | -5.455 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 252.24 |
| Relative PSA | 0.31997 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | -2.5435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-chloro-6-nitrophenolate | 2 - 2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-chloro-6-nitrophenolate
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