3-[5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-4-chlorobenzoate
Formula:C19H11N2O4BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-4-chlorobenzoate is a drug-like molecule.
| MolName | 3-[5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-4-chlorobenzoate |
| MolecularFormula | C19H11N2O4BrCl |
| Smiles | [O-]C(c(cc1)cc(-c2ccc(/C=N\NC(c(cc3)ccc3Br)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C19H12BrClN2O4/c20-13-4-1-11(2-5-13)18(24)23-22-10-14-6-8-17(27-14)15-9-12(19(25)26)3-7-16(15)21/h1-10H,(H,23,24)(H,25,26)/p-1 |
| InChIK | VNRWXGJHGOZLFR-UHFFFAOYSA-M |
| TotalMolweight | 446.663 |
| Molweight | 446.663 |
| MonoisotopicMass | 444.959071 |
| CLogP | 2.8808 |
| CLogS | -6.764 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.77 |
| Relative PSA | 0.26183 |
| PolarSurfaceArea | 94.73 |
| Druglikeness | 4.748 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-[5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-4-chlorobenzoate | 2 - 3-[5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-4-chlorobenzoate
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