(E)-2-(1H-benzimidazol-2-yl)-3-[2-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile
Formula:C23H16N3OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-[2-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-[2-[(4-bromophenyl)methoxy]phenyl]prop-2-enenitrile |
| MolecularFormula | C23H16N3OBr |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(cccc1)c1OCc(cc1)ccc1Br |
| InChI | InChI=1S/C23H16BrN3O/c24-19-11-9-16(10-12-19)15-28-22-8-4-1-5-17(22)13-18(14-25)23-26-20-6-2-3-7-21(20)27-23/h1-13H,15H2,(H,26,27) |
| InChIK | RAWKHSUZRWLUMN-UHFFFAOYSA-N |
| TotalMolweight | 430.304 |
| Molweight | 430.304 |
| MonoisotopicMass | 429.047673 |
| CLogP | 4.895 |
| CLogS | -5.299 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 304.52 |
| Relative PSA | 0.15933 |
| PolarSurfaceArea | 61.7 |
| Druglikeness | -5.8085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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