4-chloro-3-[5-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C20H15N2O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-chloro-3-[5-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 4-chloro-3-[5-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C20H15N2O4Cl |
| Smiles | OC(c(cc1)cc(-c2ccc(/C=N\NC(Cc3ccccc3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C20H15ClN2O4/c21-17-8-6-14(20(25)26)11-16(17)18-9-7-15(27-18)12-22-23-19(24)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,23,24)(H,25,26) |
| InChIK | LMYHJWIARFDJGT-UHFFFAOYSA-N |
| TotalMolweight | 382.802 |
| Molweight | 382.802 |
| MonoisotopicMass | 382.072035 |
| CLogP | 4.2297 |
| CLogS | -5.895 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 289.72 |
| Relative PSA | 0.26322 |
| PolarSurfaceArea | 91.9 |
| Druglikeness | 6.3722 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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