(4-fluorophenyl) (Z)-2-(4-fluorophenyl)-3-(1-phenylbenzimidazol-2-yl)prop-2-enoate
Formula:C28H18N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-fluorophenyl) (Z)-2-(4-fluorophenyl)-3-(1-phenylbenzimidazol-2-yl)prop-2-enoate is not a drug-like molecule.
| MolName | (4-fluorophenyl) (Z)-2-(4-fluorophenyl)-3-(1-phenylbenzimidazol-2-yl)prop-2-enoate |
| MolecularFormula | C28H18N2O2F2 |
| Smiles | O=C(/C(/c(cc1)ccc1F)=C\c1nc(cccc2)c2n1-c1ccccc1)Oc(cc1)ccc1F |
| InChI | InChI=1S/C28H18F2N2O2/c29-20-12-10-19(11-13-20)24(28(33)34-23-16-14-21(30)15-17-23)18-27-31-25-8-4-5-9-26(25)32(27)22-6-2-1-3-7-22/h1-18H |
| InChIK | GIMIMKAKTSTTTC-UHFFFAOYSA-N |
| TotalMolweight | 452.459 |
| Molweight | 452.459 |
| MonoisotopicMass | 452.133634 |
| CLogP | 5.9092 |
| CLogS | -7.825 |
| H Acceptors | 4 |
| TotalSurfaceArea | 340.26 |
| Relative PSA | 0.12014 |
| PolarSurfaceArea | 44.12 |
| Druglikeness | 0.39211 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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