2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-amine
Formula:C22H20N2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-amine is a drug-like molecule.
| MolName | 2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-amine |
| MolecularFormula | C22H20N2 |
| Smiles | Nc1cc(NC(C2)c3ccccc3)c2cc1/C=C/c1ccccc1 |
| InChI | InChI=1S/C22H20N2/c23-20-15-22-19(14-21(24-22)17-9-5-2-6-10-17)13-18(20)12-11-16-7-3-1-4-8-16/h1-13,15,21,24H,14,23H2/t21-/m0/s1 |
| InChIK | OITGCMABNQUAFL-NRFANRHFSA-N |
| TotalMolweight | 312.415 |
| Molweight | 312.415 |
| MonoisotopicMass | 312.162648 |
| CLogP | 4.381 |
| CLogS | -5.331 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 252.02 |
| Relative PSA | 0.10606 |
| PolarSurfaceArea | 38.05 |
| Druglikeness | 0.48369 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 2 |
| Aromatic Amines | 2 |
| StereoCon | racemate |
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1 - 2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-amine | 2 - 2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-amine
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