4-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]benzoic acid
Formula:C12H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]benzoic acid |
| MolecularFormula | C12H10N2O3 |
| Smiles | OC(c(cc1)ccc1N/N=C\c1ccco1)=O |
| InChI | InChI=1S/C12H10N2O3/c15-12(16)9-3-5-10(6-4-9)14-13-8-11-2-1-7-17-11/h1-8,14H,(H,15,16) |
| InChIK | LLWRFNFDUAOOQW-UHFFFAOYSA-N |
| TotalMolweight | 230.222 |
| Molweight | 230.222 |
| MonoisotopicMass | 230.069143 |
| CLogP | 3.5147 |
| CLogS | -2.844 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 183.03 |
| Relative PSA | 0.34541 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 1.9274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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