(3Z)-3-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
Formula:C15H11N2O2Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(3Z)-3-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[4-(2-chloroacetyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one |
| MolecularFormula | C15H11N2O2Cl |
| Smiles | O=C(CCl)c1c[nH]c(/C=C(/c(cccc2)c2N2)\C2=O)c1 |
| InChI | InChI=1S/C15H11ClN2O2/c16-7-14(19)9-5-10(17-8-9)6-12-11-3-1-2-4-13(11)18-15(12)20/h1-6,8,17H,7H2,(H,18,20) |
| InChIK | TXAORZNEFJVBGJ-UHFFFAOYSA-N |
| TotalMolweight | 286.717 |
| Molweight | 286.717 |
| MonoisotopicMass | 286.050905 |
| CLogP | 1.1427 |
| CLogS | -3.502 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 209.94 |
| Relative PSA | 0.24545 |
| PolarSurfaceArea | 61.96 |
| Druglikeness | 3.5002 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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