4-[5-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
Formula:C23H16N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 4-[5-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C23H16N2O4 |
| Smiles | OC(c(cc1)ccc1-c1ccc(/C=N\NC(c2cccc3ccccc23)=O)o1)=O |
| InChI | InChI=1S/C23H16N2O4/c26-22(20-7-3-5-15-4-1-2-6-19(15)20)25-24-14-18-12-13-21(29-18)16-8-10-17(11-9-16)23(27)28/h1-14H,(H,25,26)(H,27,28) |
| InChIK | JFDMYYVNDSXKFS-UHFFFAOYSA-N |
| TotalMolweight | 384.39 |
| Molweight | 384.39 |
| MonoisotopicMass | 384.111008 |
| CLogP | 4.82 |
| CLogS | -6.8 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 295.14 |
| Relative PSA | 0.25839 |
| PolarSurfaceArea | 91.9 |
| Druglikeness | 6.3072 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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