1-(2-chlorophenyl)-N-[2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-yl]methanimine
Formula:C29H23N2Cl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
1-(2-chlorophenyl)-N-[2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-yl]methanimine is not a drug-like molecule.
| MolName | 1-(2-chlorophenyl)-N-[2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-yl]methanimine |
| MolecularFormula | C29H23N2Cl |
| Smiles | Clc1c(/C=N/c2c(/C=C/c3ccccc3)cc(CC(c3ccccc3)N3)c3c2)cccc1 |
| InChI | InChI=1S/C29H23ClN2/c30-26-14-8-7-13-24(26)20-31-27-19-29-25(18-28(32-29)22-11-5-2-6-12-22)17-23(27)16-15-21-9-3-1-4-10-21/h1-17,19-20,28,32H,18H2/t28-/m1/s1 |
| InChIK | LXELOHAFCYYCOU-MUUNZHRXSA-N |
| TotalMolweight | 434.969 |
| Molweight | 434.969 |
| MonoisotopicMass | 434.154975 |
| CLogP | 7.0381 |
| CLogS | -7.533 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 343.44 |
| Relative PSA | 0.066882 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 1.195 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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1 - 1-(2-chlorophenyl)-N-[2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-yl]methanimine | 2 - 1-(2-chlorophenyl)-N-[2-phenyl-5-[(E)-2-phenylethenyl]-2,3-dihydro-1H-indol-6-yl]methanimine
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