2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
Formula:C14H9N3O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate |
| MolecularFormula | C14H9N3O4Br |
| Smiles | [O-]c(cc1)c(/C=N\NC(c2cccc(Br)c2)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C14H10BrN3O4/c15-11-3-1-2-9(6-11)14(20)17-16-8-10-7-12(18(21)22)4-5-13(10)19/h1-8,19H,(H,17,20)/p-1 |
| InChIK | HJMHUNPVZZMEPG-UHFFFAOYSA-M |
| TotalMolweight | 363.146 |
| Molweight | 363.146 |
| MonoisotopicMass | 361.977643 |
| CLogP | 1.0815 |
| CLogS | -4.719 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 236.82 |
| Relative PSA | 0.34081 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | -2.5702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| 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 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate | 2 - 2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
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