4-chloro-3-[5-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C20H11N2O4ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-chloro-3-[5-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 4-chloro-3-[5-[(Z)-[[3-(trifluoromethyl)benzoyl]hydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C20H11N2O4ClF3 |
| Smiles | [O-]C(c(cc1)cc(-c2ccc(/C=N\NC(c3cc(C(F)(F)F)ccc3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C20H12ClF3N2O4/c21-16-6-4-12(19(28)29)9-15(16)17-7-5-14(30-17)10-25-26-18(27)11-2-1-3-13(8-11)20(22,23)24/h1-10H,(H,26,27)(H,28,29)/p-1 |
| InChIK | MOWPXZGYXSPJEC-UHFFFAOYSA-M |
| TotalMolweight | 435.764 |
| Molweight | 435.764 |
| MonoisotopicMass | 435.035944 |
| CLogP | 3.0039 |
| CLogS | -6.708 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.6 |
| Relative PSA | 0.25258 |
| PolarSurfaceArea | 94.73 |
| Druglikeness | -0.65199 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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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