(E)-N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
Formula:C16H14N3O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C16H14N3O3Cl |
| Smiles | O=C(CNC(/C=C/c1ccco1)=O)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C16H14ClN3O3/c17-14-6-2-1-4-12(14)10-19-20-16(22)11-18-15(21)8-7-13-5-3-9-23-13/h1-10H,11H2,(H,18,21)(H,20,22) |
| InChIK | JRKCWDZODPTSKT-UHFFFAOYSA-N |
| TotalMolweight | 331.758 |
| Molweight | 331.758 |
| MonoisotopicMass | 331.072369 |
| CLogP | 2.4092 |
| CLogS | -4.276 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 261.57 |
| Relative PSA | 0.28528 |
| 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 | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
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