4-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzamide
Formula:C17H15N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzamide is a drug-like molecule.
| MolName | 4-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzamide |
| MolecularFormula | C17H15N5O2 |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2C(N)=O)NN1c1ccccc1 |
| InChI | InChI=1S/C17H15N5O2/c1-11-15(17(24)22(21-11)14-5-3-2-4-6-14)20-19-13-9-7-12(8-10-13)16(18)23/h2-10,19,21H,1H2,(H2,18,23) |
| InChIK | QCDFVGPTFAQIFP-UHFFFAOYSA-N |
| TotalMolweight | 321.339 |
| Molweight | 321.339 |
| MonoisotopicMass | 321.122575 |
| CLogP | 2.2694 |
| CLogS | -3.111 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 242.48 |
| Relative PSA | 0.32716 |
| PolarSurfaceArea | 99.82 |
| Druglikeness | 1.9518 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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