2-chloro-5-[5-[(Z)-[(4-iodophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C18H12N2O3ClI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[5-[(Z)-[(4-iodophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
| MolName | 2-chloro-5-[5-[(Z)-[(4-iodophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C18H12N2O3ClI |
| Smiles | OC(c(cc(cc1)-c2ccc(/C=N\Nc(cc3)ccc3I)o2)c1Cl)=O |
| InChI | InChI=1S/C18H12ClIN2O3/c19-16-7-1-11(9-15(16)18(23)24)17-8-6-14(25-17)10-21-22-13-4-2-12(20)3-5-13/h1-10,22H,(H,23,24) |
| InChIK | IBQAKWSQPLLMOX-UHFFFAOYSA-N |
| TotalMolweight | 466.657 |
| Molweight | 466.657 |
| MonoisotopicMass | 465.958118 |
| CLogP | 6.308 |
| CLogS | -6.374 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 284.49 |
| Relative PSA | 0.22222 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 4.7168 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| 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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