[4-[(Z)-[(4-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C23H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-[(4-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C23H17N3O4 |
| Smiles | O=C(c1ccco1)Oc1ccc(/C=N\NC(c(cc2)ccc2-n2cccc2)=O)cc1 |
| InChI | InChI=1S/C23H17N3O4/c27-22(18-7-9-19(10-8-18)26-13-1-2-14-26)25-24-16-17-5-11-20(12-6-17)30-23(28)21-4-3-15-29-21/h1-16H,(H,25,27) |
| InChIK | JTIIHMSLYNDFIO-UHFFFAOYSA-N |
| TotalMolweight | 399.405 |
| Molweight | 399.405 |
| MonoisotopicMass | 399.121907 |
| CLogP | 4.0057 |
| CLogS | -7.186 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 313.15 |
| Relative PSA | 0.25556 |
| PolarSurfaceArea | 85.83 |
| Druglikeness | 4.7695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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