6-[(E)-2-phenylethenyl]benzimidazolo[1,2-c]quinazoline
Formula:C22H15N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-phenylethenyl]benzimidazolo[1,2-c]quinazoline is a drug-like molecule.
| MolName | 6-[(E)-2-phenylethenyl]benzimidazolo[1,2-c]quinazoline |
| MolecularFormula | C22H15N3 |
| Smiles | C(c1ccccc1)=C/c1nc(cccc2)c2c2nc(cccc3)c3n12 |
| InChI | InChI=1S/C22H15N3/c1-2-8-16(9-3-1)14-15-21-23-18-11-5-4-10-17(18)22-24-19-12-6-7-13-20(19)25(21)22/h1-15H |
| InChIK | VZNPDTRRAOJNFQ-UHFFFAOYSA-N |
| TotalMolweight | 321.382 |
| Molweight | 321.382 |
| MonoisotopicMass | 321.126597 |
| CLogP | 4.8926 |
| CLogS | -7.005 |
| H Acceptors | 3 |
| TotalSurfaceArea | 251.49 |
| Relative PSA | 0.11885 |
| PolarSurfaceArea | 30.19 |
| Druglikeness | 0.75041 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon |
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