(3E)-3-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1H-indol-2-one
Formula:C27H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(3E)-3-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1H-indol-2-one is not a drug-like molecule.
| MolName | (3E)-3-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1H-indol-2-one |
| MolecularFormula | C27H18N2O |
| Smiles | O=C1Nc(cccc2)c2/C1=C\c1c(-c2cc3ccccc3cc2)[nH]c2c1cccc2 |
| InChI | InChI=1S/C27H18N2O/c30-27-23(21-10-4-6-12-25(21)29-27)16-22-20-9-3-5-11-24(20)28-26(22)19-14-13-17-7-1-2-8-18(17)15-19/h1-16,28H,(H,29,30) |
| InChIK | HFINLNRYHYZBOE-UHFFFAOYSA-N |
| TotalMolweight | 386.453 |
| Molweight | 386.453 |
| MonoisotopicMass | 386.141913 |
| CLogP | 5.2497 |
| CLogS | -7.278 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 291.97 |
| Relative PSA | 0.13183 |
| PolarSurfaceArea | 44.89 |
| Druglikeness | 2.9243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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