4-[5-[(Z)-[(3-iodobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C19H13N2O4I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-[(3-iodobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 4-[5-[(Z)-[(3-iodobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C19H13N2O4I |
| Smiles | OC(c(cc1)ccc1-c1ccc(/C=N\NC(c2cccc(I)c2)=O)o1)=O |
| InChI | InChI=1S/C19H13IN2O4/c20-15-3-1-2-14(10-15)18(23)22-21-11-16-8-9-17(26-16)12-4-6-13(7-5-12)19(24)25/h1-11H,(H,22,23)(H,24,25) |
| InChIK | FNFGPEQIMHVWHG-UHFFFAOYSA-N |
| TotalMolweight | 460.222 |
| Molweight | 460.222 |
| MonoisotopicMass | 459.992006 |
| CLogP | 4.0627 |
| CLogS | -6.21 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 286.82 |
| Relative PSA | 0.26588 |
| PolarSurfaceArea | 91.9 |
| Druglikeness | 6.6952 |
| 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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