[(E)-1-(2-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl] 2-chlorobenzoate
Formula:C29H19N2O2Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-1-(2-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [(E)-1-(2-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl] 2-chlorobenzoate |
| MolecularFormula | C29H19N2O2Cl3 |
| Smiles | O=C(c(cccc1)c1Cl)O/C(/c(cccc1)c1Cl)=C/c1nc(cccc2)c2n1Cc(cccc1)c1Cl |
| InChI | InChI=1S/C29H19Cl3N2O2/c30-22-12-4-1-9-19(22)18-34-26-16-8-7-15-25(26)33-28(34)17-27(20-10-2-5-13-23(20)31)36-29(35)21-11-3-6-14-24(21)32/h1-17H,18H2 |
| InChIK | HSQFMPSBSNYUHF-UHFFFAOYSA-N |
| TotalMolweight | 533.841 |
| Molweight | 533.841 |
| MonoisotopicMass | 532.051209 |
| CLogP | 7.8873 |
| CLogS | -7.021 |
| H Acceptors | 4 |
| TotalSurfaceArea | 387.58 |
| Relative PSA | 0.10547 |
| PolarSurfaceArea | 44.12 |
| Druglikeness | 2.1027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41667 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-1-(2-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl] 2-chlorobenzoate | 2 - [(E)-1-(2-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethenyl] 2-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off