[(Z)-2-(1-benzylbenzimidazol-2-yl)-1-phenylethenyl] benzoate
Formula:C29H22N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2-(1-benzylbenzimidazol-2-yl)-1-phenylethenyl] benzoate is not a drug-like molecule.
| MolName | [(Z)-2-(1-benzylbenzimidazol-2-yl)-1-phenylethenyl] benzoate |
| MolecularFormula | C29H22N2O2 |
| Smiles | O=C(c1ccccc1)O/C(/c1ccccc1)=C\c1nc(cccc2)c2n1Cc1ccccc1 |
| InChI | InChI=1S/C29H22N2O2/c32-29(24-16-8-3-9-17-24)33-27(23-14-6-2-7-15-23)20-28-30-25-18-10-11-19-26(25)31(28)21-22-12-4-1-5-13-22/h1-20H,21H2 |
| InChIK | DMQWWJXOLRGXSL-UHFFFAOYSA-N |
| TotalMolweight | 430.506 |
| Molweight | 430.506 |
| MonoisotopicMass | 430.168128 |
| CLogP | 6.0693 |
| CLogS | -4.813 |
| H Acceptors | 4 |
| TotalSurfaceArea | 341.32 |
| Relative PSA | 0.11977 |
| PolarSurfaceArea | 44.12 |
| Druglikeness | 2.0255 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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