[3-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C21H15N2O4Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[3-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [3-[(E)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C21H15N2O4Cl |
| Smiles | O=C(/C=C/c1ccco1)Oc1cccc(/C=N/NC(c(cccc2)c2Cl)=O)c1 |
| InChI | InChI=1S/C21H15ClN2O4/c22-19-9-2-1-8-18(19)21(26)24-23-14-15-5-3-6-17(13-15)28-20(25)11-10-16-7-4-12-27-16/h1-14H,(H,24,26) |
| InChIK | BOHDIZNFKIWWRO-UHFFFAOYSA-N |
| TotalMolweight | 394.813 |
| Molweight | 394.813 |
| MonoisotopicMass | 394.072035 |
| CLogP | 4.756 |
| CLogS | -5.979 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.11 |
| Relative PSA | 0.239 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 1.8691 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| StereoCon |
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