3,5-dichloro-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxybenzamide
Formula:C14H10N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3,5-dichloro-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxybenzamide is a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxybenzamide |
| MolecularFormula | C14H10N2O3Cl2 |
| Smiles | Oc(c(C(N/N=C\C=C\c1ccco1)=O)cc(Cl)c1)c1Cl |
| InChI | InChI=1S/C14H10Cl2N2O3/c15-9-7-11(13(19)12(16)8-9)14(20)18-17-5-1-3-10-4-2-6-21-10/h1-8,19H,(H,18,20) |
| InChIK | LVJMPFVGNZJTCG-UHFFFAOYSA-N |
| TotalMolweight | 325.15 |
| Molweight | 325.15 |
| MonoisotopicMass | 324.006847 |
| CLogP | 3.2749 |
| CLogS | -4.871 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 240.37 |
| Relative PSA | 0.26301 |
| PolarSurfaceArea | 74.83 |
| Druglikeness | 4.2348 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - 3,5-dichloro-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxybenzamide | 2 - 3,5-dichloro-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxybenzamide
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