(3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline
Formula:C19H15N
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline is a drug-like molecule.
| MolName | (3E)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline |
| MolecularFormula | C19H15N |
| Smiles | C(Cc1cc2ccccc2nc11)/C1=C\c1ccccc1 |
| InChI | InChI=1S/C19H15N/c1-2-6-14(7-3-1)12-16-10-11-17-13-15-8-4-5-9-18(15)20-19(16)17/h1-9,12-13H,10-11H2 |
| InChIK | YTSWLKWYRVTRMW-UHFFFAOYSA-N |
| TotalMolweight | 257.335 |
| Molweight | 257.335 |
| MonoisotopicMass | 257.120449 |
| CLogP | 4.3412 |
| CLogS | -4.53 |
| H Acceptors | 1 |
| TotalSurfaceArea | 205.11 |
| Relative PSA | 0.053483 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -1.3723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.6 |
| 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 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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