1-phenyl-N-[2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-yl]methanimine
Formula:C29H24N2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
1-phenyl-N-[2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-yl]methanimine is not a drug-like molecule.
| MolName | 1-phenyl-N-[2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-yl]methanimine |
| MolecularFormula | C29H24N2 |
| Smiles | C(C(c1ccccc1)Nc1c2)c1cc(/C=C/c1ccccc1)c2/N=C/c1ccccc1 |
| InChI | InChI=1S/C29H24N2/c1-4-10-22(11-5-1)16-17-25-18-26-19-28(24-14-8-3-9-15-24)31-29(26)20-27(25)30-21-23-12-6-2-7-13-23/h1-18,20-21,28,31H,19H2/t28-/m1/s1 |
| InChIK | NNHUHSLDRWWVTG-MUUNZHRXSA-N |
| TotalMolweight | 400.524 |
| Molweight | 400.524 |
| MonoisotopicMass | 400.193948 |
| CLogP | 6.4321 |
| CLogS | -6.797 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 328.02 |
| Relative PSA | 0.070026 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.1357 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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1 - 1-phenyl-N-[2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-yl]methanimine | 2 - 1-phenyl-N-[2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-yl]methanimine
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