2-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzoate
Formula:C17H13N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzoate is a drug-like molecule.
| MolName | 2-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzoate |
| MolecularFormula | C17H13N4O3 |
| Smiles | C=C(/C(/C1=O)=N\Nc(cccc2)c2C([O-])=O)NN1c1ccccc1 |
| InChI | InChI=1S/C17H14N4O3/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24/h2-10,18,20H,1H2,(H,23,24)/p-1 |
| InChIK | JJPVYCDJQPAAGC-UHFFFAOYSA-M |
| TotalMolweight | 321.315 |
| Molweight | 321.315 |
| MonoisotopicMass | 321.098766 |
| CLogP | 0.5912 |
| CLogS | -3.035 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 241.49 |
| Relative PSA | 0.3244 |
| PolarSurfaceArea | 96.86 |
| Druglikeness | 1.6577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| 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 | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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