4-[2-(2-aminophenyl)ethenyl]-6-[(E)-2-phenylethenyl]benzene-1,3-diamine
Formula:C22H21N3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
4-[2-(2-aminophenyl)ethenyl]-6-[(E)-2-phenylethenyl]benzene-1,3-diamine is a drug-like molecule.
| MolName | 4-[2-(2-aminophenyl)ethenyl]-6-[(E)-2-phenylethenyl]benzene-1,3-diamine |
| MolecularFormula | C22H21N3 |
| Smiles | Nc1c(C=Cc(cc(/C=C/c2ccccc2)c(N)c2)c2N)cccc1 |
| InChI | InChI=1S/C22H21N3/c23-20-9-5-4-8-17(20)12-13-19-14-18(21(24)15-22(19)25)11-10-16-6-2-1-3-7-16/h1-15H,23-25H2 |
| InChIK | DDUKLWGPDOXUEL-UHFFFAOYSA-N |
| TotalMolweight | 327.43 |
| Molweight | 327.43 |
| MonoisotopicMass | 327.173547 |
| CLogP | 4.0417 |
| CLogS | -6.116 |
| H Acceptors | 3 |
| H Donors | 3 |
| TotalSurfaceArea | 271.34 |
| Relative PSA | 0.16883 |
| PolarSurfaceArea | 78.06 |
| Druglikeness | -1.4351 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | 1,3-diamino-aryl |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amines | 3 |
| Aromatic Amines | 3 |
| StereoCon |
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