(11E)-11-[(2-chlorophenyl)methylidene]indeno[1,2-b]quinoxaline
Formula:C22H13N2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(11E)-11-[(2-chlorophenyl)methylidene]indeno[1,2-b]quinoxaline is not a drug-like molecule.
| MolName | (11E)-11-[(2-chlorophenyl)methylidene]indeno[1,2-b]quinoxaline |
| MolecularFormula | C22H13N2Cl |
| Smiles | Clc1c(/C=C2/c3nc4ccccc4nc3-c3c2cccc3)cccc1 |
| InChI | InChI=1S/C22H13ClN2/c23-18-10-4-1-7-14(18)13-17-15-8-2-3-9-16(15)21-22(17)25-20-12-6-5-11-19(20)24-21/h1-13H |
| InChIK | XTAKIMMCGNQOJN-UHFFFAOYSA-N |
| TotalMolweight | 340.812 |
| Molweight | 340.812 |
| MonoisotopicMass | 340.076725 |
| CLogP | 5.4895 |
| CLogS | -6.215 |
| H Acceptors | 2 |
| TotalSurfaceArea | 251.53 |
| Relative PSA | 0.087226 |
| PolarSurfaceArea | 25.78 |
| Druglikeness | -0.46083 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (11E)-11-[(2-chlorophenyl)methylidene]indeno[1,2-b]quinoxaline | 2 - (11E)-11-[(2-chlorophenyl)methylidene]indeno[1,2-b]quinoxaline
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