2-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]benzoate
Formula:C19H14N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]benzoate |
| MolecularFormula | C19H14N3O3 |
| Smiles | [O-]C(c1c(/C=N\NC(c(cccc2)c2-n2cccc2)=O)cccc1)=O |
| InChI | InChI=1S/C19H15N3O3/c23-18(16-9-3-4-10-17(16)22-11-5-6-12-22)21-20-13-14-7-1-2-8-15(14)19(24)25/h1-13H,(H,21,23)(H,24,25)/p-1 |
| InChIK | PEKDHCWGZXLRCF-UHFFFAOYSA-M |
| TotalMolweight | 332.338 |
| Molweight | 332.338 |
| MonoisotopicMass | 332.103517 |
| CLogP | 0.7956 |
| CLogS | -6.047 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 261.23 |
| Relative PSA | 0.26873 |
| PolarSurfaceArea | 86.52 |
| Druglikeness | 5.0969 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]benzoate | 2 - 2-[(Z)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]benzoate
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