[4-[(Z)-[[2-(3-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C22H17N3O7
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(3-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-[[2-(3-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C22H17N3O7 |
| Smiles | [O-][N+](c1cc(OCC(N/N=C\c(cc2)ccc2OC(/C=C/c2ccco2)=O)=O)ccc1)=O |
| InChI | InChI=1S/C22H17N3O7/c26-21(15-31-20-4-1-3-17(13-20)25(28)29)24-23-14-16-6-8-19(9-7-16)32-22(27)11-10-18-5-2-12-30-18/h1-14H,15H2,(H,24,26) |
| InChIK | YSWLVDDAALENHL-UHFFFAOYSA-N |
| TotalMolweight | 435.391 |
| Molweight | 435.391 |
| MonoisotopicMass | 435.106652 |
| CLogP | 2.8033 |
| CLogS | -5.483 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 338.12 |
| Relative PSA | 0.33592 |
| PolarSurfaceArea | 135.95 |
| Druglikeness | -3.1084 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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