4-[(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid
Formula:C18H13N2O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C18H13N2O3Cl |
| Smiles | OC(c(cc1)ccc1N/N=C\c1ccc(-c2cccc(Cl)c2)o1)=O |
| InChI | InChI=1S/C18H13ClN2O3/c19-14-3-1-2-13(10-14)17-9-8-16(24-17)11-20-21-15-6-4-12(5-7-15)18(22)23/h1-11,21H,(H,22,23) |
| InChIK | ARFHNEJAPQHBIC-UHFFFAOYSA-N |
| TotalMolweight | 340.765 |
| Molweight | 340.765 |
| MonoisotopicMass | 340.06147 |
| CLogP | 5.8709 |
| CLogS | -5.358 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 258.21 |
| Relative PSA | 0.24484 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 4.273 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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