phenyl (Z)-2-phenyl-3-(1-phenylbenzimidazol-2-yl)prop-2-enoate
Formula:C28H20N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
phenyl (Z)-2-phenyl-3-(1-phenylbenzimidazol-2-yl)prop-2-enoate is not a drug-like molecule.
| MolName | phenyl (Z)-2-phenyl-3-(1-phenylbenzimidazol-2-yl)prop-2-enoate |
| MolecularFormula | C28H20N2O2 |
| Smiles | O=C(/C(/c1ccccc1)=C\c1nc(cccc2)c2n1-c1ccccc1)Oc1ccccc1 |
| InChI | InChI=1S/C28H20N2O2/c31-28(32-23-16-8-3-9-17-23)24(21-12-4-1-5-13-21)20-27-29-25-18-10-11-19-26(25)30(27)22-14-6-2-7-15-22/h1-20H |
| InChIK | BZXXGCNAYNCIAJ-UHFFFAOYSA-N |
| TotalMolweight | 416.479 |
| Molweight | 416.479 |
| MonoisotopicMass | 416.152478 |
| CLogP | 5.7076 |
| CLogS | -7.197 |
| H Acceptors | 4 |
| TotalSurfaceArea | 327.56 |
| Relative PSA | 0.1248 |
| PolarSurfaceArea | 44.12 |
| Druglikeness | 1.7321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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