2-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzonitrile
Formula:C17H13N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzonitrile is a drug-like molecule.
| MolName | 2-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzonitrile |
| MolecularFormula | C17H13N5O |
| Smiles | C=C(/C(/C1=O)=N\Nc(cccc2)c2C#N)NN1c1ccccc1 |
| InChI | InChI=1S/C17H13N5O/c1-12-16(20-19-15-10-6-5-7-13(15)11-18)17(23)22(21-12)14-8-3-2-4-9-14/h2-10,19,21H,1H2 |
| InChIK | UHZAYLIGXMHFSY-UHFFFAOYSA-N |
| TotalMolweight | 303.324 |
| Molweight | 303.324 |
| MonoisotopicMass | 303.11201 |
| CLogP | 3.0177 |
| CLogS | -3.795 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 237.92 |
| Relative PSA | 0.27144 |
| PolarSurfaceArea | 80.52 |
| Druglikeness | -2.6346 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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