(E)-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
Formula:C16H13N3O3Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C16H13N3O3Cl2 |
| Smiles | O=C(CNC(/C=C/c1ccco1)=O)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H13Cl2N3O3/c17-12-4-3-11(14(18)8-12)9-20-21-16(23)10-19-15(22)6-5-13-2-1-7-24-13/h1-9H,10H2,(H,19,22)(H,21,23) |
| InChIK | LEXHZRBCUGGYHD-UHFFFAOYSA-N |
| TotalMolweight | 366.203 |
| Molweight | 366.203 |
| MonoisotopicMass | 365.033396 |
| CLogP | 3.0152 |
| CLogS | -5.012 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 276.99 |
| Relative PSA | 0.2694 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 3.9466 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
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