(3E)-3-(naphthalen-1-ylmethylidene)indole
Formula:C19H13N
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(3E)-3-(naphthalen-1-ylmethylidene)indole is a drug-like molecule.
| MolName | (3E)-3-(naphthalen-1-ylmethylidene)indole |
| MolecularFormula | C19H13N |
| Smiles | C(c1cccc2ccccc12)=C1\c(cccc2)c2N=C1 |
| InChI | InChI=1S/C19H13N/c1-2-9-17-14(6-1)7-5-8-15(17)12-16-13-20-19-11-4-3-10-18(16)19/h1-13H |
| InChIK | ZHXRMCTZRVWINW-UHFFFAOYSA-N |
| TotalMolweight | 255.319 |
| Molweight | 255.319 |
| MonoisotopicMass | 255.104799 |
| CLogP | 4.2578 |
| CLogS | -4.927 |
| H Acceptors | 1 |
| TotalSurfaceArea | 203.59 |
| Relative PSA | 0.056535 |
| PolarSurfaceArea | 12.36 |
| Druglikeness | 0.53929 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| StereoCon |
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