3-[5-[(Z)-(diphenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Formula:C24H18N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[5-[(Z)-(diphenylhydrazinylidene)methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
| MolName | 3-[5-[(Z)-(diphenylhydrazinylidene)methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C24H18N2O3 |
| Smiles | OC(c1cc(-c2ccc(/C=N\N(c3ccccc3)c3ccccc3)o2)ccc1)=O |
| InChI | InChI=1S/C24H18N2O3/c27-24(28)19-9-7-8-18(16-19)23-15-14-22(29-23)17-25-26(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17H,(H,27,28) |
| InChIK | BGUVZDXUEXTPMZ-UHFFFAOYSA-N |
| TotalMolweight | 382.418 |
| Molweight | 382.418 |
| MonoisotopicMass | 382.131743 |
| CLogP | 5.6528 |
| CLogS | -7.199 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.39 |
| Relative PSA | 0.18352 |
| PolarSurfaceArea | 66.04 |
| Druglikeness | 5.4971 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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