9-[(E)-2-acridin-9-ylethenyl]acridine
Formula:C28H18N2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
9-[(E)-2-acridin-9-ylethenyl]acridine is not a drug-like molecule.
| MolName | 9-[(E)-2-acridin-9-ylethenyl]acridine |
| MolecularFormula | C28H18N2 |
| Smiles | C(c1c(cccc2)c2nc2ccccc12)=C/c1c(cccc2)c2nc2ccccc12 |
| InChI | InChI=1S/C28H18N2/c1-5-13-25-21(9-1)19(22-10-2-6-14-26(22)29-25)17-18-20-23-11-3-7-15-27(23)30-28-16-8-4-12-24(20)28/h1-18H |
| InChIK | HPHSXUJDNGYBHI-UHFFFAOYSA-N |
| TotalMolweight | 382.465 |
| Molweight | 382.465 |
| MonoisotopicMass | 382.146998 |
| CLogP | 7.1324 |
| CLogS | -8.166 |
| H Acceptors | 2 |
| TotalSurfaceArea | 295.44 |
| Relative PSA | 0.074262 |
| PolarSurfaceArea | 25.78 |
| Druglikeness | -1.4269 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 21 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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