(3E)-3-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1H-indol-2-one
Formula:C18H13N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1H-indol-2-one is a drug-like molecule.
| MolName | (3E)-3-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C18H13N3O |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c1c(-c2ccccc2)[nH]nc1 |
| InChI | InChI=1S/C18H13N3O/c22-18-15(14-8-4-5-9-16(14)20-18)10-13-11-19-21-17(13)12-6-2-1-3-7-12/h1-11H,(H,19,21)(H,20,22) |
| InChIK | RINGOEHWKXCHGN-UHFFFAOYSA-N |
| TotalMolweight | 287.321 |
| Molweight | 287.321 |
| MonoisotopicMass | 287.105862 |
| CLogP | 1.9095 |
| CLogS | -3.72 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 221.53 |
| Relative PSA | 0.22327 |
| PolarSurfaceArea | 57.78 |
| Druglikeness | 4.9911 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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