3-[5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C19H12N2O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 3-[5-[(Z)-[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C19H12N2O4Br |
| Smiles | [O-]C(c1cccc(-c2ccc(/C=N\NC(c(cc3)ccc3Br)=O)o2)c1)=O |
| InChI | InChI=1S/C19H13BrN2O4/c20-15-6-4-12(5-7-15)18(23)22-21-11-16-8-9-17(26-16)13-2-1-3-14(10-13)19(24)25/h1-11H,(H,22,23)(H,24,25)/p-1 |
| InChIK | IUMGFJCRLWWBJZ-UHFFFAOYSA-M |
| TotalMolweight | 412.218 |
| Molweight | 412.218 |
| MonoisotopicMass | 410.998044 |
| CLogP | 2.2748 |
| CLogS | -6.028 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 280.35 |
| Relative PSA | 0.27623 |
| PolarSurfaceArea | 94.73 |
| Druglikeness | 4.716 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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