(4E)-2-(4-chlorophenyl)-5-methylidene-4-(pyridin-3-ylhydrazinylidene)pyrazolidin-3-one
Formula:C15H12N5OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(4-chlorophenyl)-5-methylidene-4-(pyridin-3-ylhydrazinylidene)pyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-2-(4-chlorophenyl)-5-methylidene-4-(pyridin-3-ylhydrazinylidene)pyrazolidin-3-one |
| MolecularFormula | C15H12N5OCl |
| Smiles | C=C(/C(/C1=O)=N\Nc2cnccc2)NN1c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H12ClN5O/c1-10-14(19-18-12-3-2-8-17-9-12)15(22)21(20-10)13-6-4-11(16)5-7-13/h2-9,18,20H,1H2 |
| InChIK | CUHYDSGLLORTAY-UHFFFAOYSA-N |
| TotalMolweight | 313.747 |
| Molweight | 313.747 |
| MonoisotopicMass | 313.073037 |
| CLogP | 2.7872 |
| CLogS | -2.963 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 230.39 |
| Relative PSA | 0.26907 |
| PolarSurfaceArea | 69.62 |
| Druglikeness | 1.6639 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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