3-[2-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]pyrrol-1-yl]benzoate
Formula:C19H15N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[2-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]pyrrol-1-yl]benzoate is a drug-like molecule.
| MolName | 3-[2-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]pyrrol-1-yl]benzoate |
| MolecularFormula | C19H15N4O3 |
| Smiles | [O-]C(c1cccc(-n2c(/C=N\NC(Nc3ccccc3)=O)ccc2)c1)=O |
| InChI | InChI=1S/C19H16N4O3/c24-18(25)14-6-4-9-16(12-14)23-11-5-10-17(23)13-20-22-19(26)21-15-7-2-1-3-8-15/h1-13H,(H,24,25)(H2,21,22,26)/p-1 |
| InChIK | FHFKVPIBQXEBBQ-UHFFFAOYSA-M |
| TotalMolweight | 347.353 |
| Molweight | 347.353 |
| MonoisotopicMass | 347.114416 |
| CLogP | 0.8435 |
| CLogS | -6.587 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 272.69 |
| Relative PSA | 0.29946 |
| PolarSurfaceArea | 98.55 |
| Druglikeness | 5.1644 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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