(6E)-9-bromo-6-[(2-chlorophenyl)methylidene]pyrido[2,1-a]isoindol-5-ium
Formula:C19H12NBrCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(6E)-9-bromo-6-[(2-chlorophenyl)methylidene]pyrido[2,1-a]isoindol-5-ium is a drug-like molecule.
| MolName | (6E)-9-bromo-6-[(2-chlorophenyl)methylidene]pyrido[2,1-a]isoindol-5-ium |
| MolecularFormula | C19H12NBrCl |
| Smiles | Clc1c(/C=C2/[n+](cccc3)c3-c3c2ccc(Br)c3)cccc1 |
| InChI | InChI=1S/C19H12BrClN/c20-14-8-9-15-16(12-14)18-7-3-4-10-22(18)19(15)11-13-5-1-2-6-17(13)21/h1-12H/q+1 |
| InChIK | ZMAHDSWEZLPKAV-UHFFFAOYSA-N |
| TotalMolweight | 369.668 |
| Molweight | 369.668 |
| MonoisotopicMass | 367.984162 |
| CLogP | 2.8681 |
| CLogS | -6.799 |
| H Acceptors | 1 |
| TotalSurfaceArea | 235.34 |
| Relative PSA | 0.011728 |
| PolarSurfaceArea | 3.88 |
| Druglikeness | -3.2608 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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