[4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
Formula:C21H15N3O6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C21H15N3O6 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(cc1)ccc1OC(/C=C/c1ccco1)=O)=O)=O |
| InChI | InChI=1S/C21H15N3O6/c25-20(12-11-18-2-1-13-29-18)30-19-9-3-15(4-10-19)14-22-23-21(26)16-5-7-17(8-6-16)24(27)28/h1-14H,(H,23,26) |
| InChIK | HCYLPLYCQVBAEH-UHFFFAOYSA-N |
| TotalMolweight | 405.365 |
| Molweight | 405.365 |
| MonoisotopicMass | 405.096087 |
| CLogP | 3.2284 |
| CLogS | -5.703 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 314.36 |
| Relative PSA | 0.32949 |
| PolarSurfaceArea | 126.72 |
| Druglikeness | -3.1829 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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