(4Z)-4-[[1-(5-nitropyridin-2-yl)indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
Formula:C23H15N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-4-[[1-(5-nitropyridin-2-yl)indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione is a drug-like molecule.
| MolName | (4Z)-4-[[1-(5-nitropyridin-2-yl)indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione |
| MolecularFormula | C23H15N5O4 |
| Smiles | [O-][N+](c(cc1)cnc1-n1c(cccc2)c2c(/C=C(/C(NN2c3ccccc3)=O)\C2=O)c1)=O |
| InChI | InChI=1S/C23H15N5O4/c29-22-19(23(30)27(25-22)16-6-2-1-3-7-16)12-15-14-26(20-9-5-4-8-18(15)20)21-11-10-17(13-24-21)28(31)32/h1-14H,(H,25,29) |
| InChIK | LMJLJWWEAYSYSQ-UHFFFAOYSA-N |
| TotalMolweight | 425.403 |
| Molweight | 425.403 |
| MonoisotopicMass | 425.112405 |
| CLogP | 2.3629 |
| CLogS | -5.484 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 307.48 |
| Relative PSA | 0.29059 |
| PolarSurfaceArea | 113.05 |
| Druglikeness | -0.7017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4Z)-4-[[1-(5-nitropyridin-2-yl)indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione | 2 - (4Z)-4-[[1-(5-nitropyridin-2-yl)indol-3-yl]methylidene]-1-phenylpyrazolidine-3,5-dione
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