(3E)-3-(9H-carbazol-3-ylmethylidene)carbazole
Formula:C25H16N2
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
(3E)-3-(9H-carbazol-3-ylmethylidene)carbazole is a drug-like molecule.
| MolName | (3E)-3-(9H-carbazol-3-ylmethylidene)carbazole |
| MolecularFormula | C25H16N2 |
| Smiles | C(c(cc1)cc2c1[nH]c1c2cccc1)=C(\C=C1)/C=C2C1=Nc1c2cccc1 |
| InChI | InChI=1S/C25H16N2/c1-3-7-22-18(5-1)20-14-16(9-11-24(20)26-22)13-17-10-12-25-21(15-17)19-6-2-4-8-23(19)27-25/h1-15,26H |
| InChIK | AIBZPRBRMFOMOE-UHFFFAOYSA-N |
| TotalMolweight | 344.416 |
| Molweight | 344.416 |
| MonoisotopicMass | 344.131348 |
| CLogP | 4.9587 |
| CLogS | -5.855 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 263.68 |
| Relative PSA | 0.096708 |
| PolarSurfaceArea | 28.15 |
| Druglikeness | 0.6387 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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