(Z)-3-(4-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enenitrile
Formula:C17H11N2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(4-fluorophenyl)-2-(1H-indol-3-yl)prop-2-enenitrile |
| MolecularFormula | C17H11N2F |
| Smiles | N#C/C(/c1c[nH]c2c1cccc2)=C\c(cc1)ccc1F |
| InChI | InChI=1S/C17H11FN2/c18-14-7-5-12(6-8-14)9-13(10-19)16-11-20-17-4-2-1-3-15(16)17/h1-9,11,20H |
| InChIK | DVGACRHRDGVOET-UHFFFAOYSA-N |
| TotalMolweight | 262.286 |
| Molweight | 262.286 |
| MonoisotopicMass | 262.090626 |
| CLogP | 3.4728 |
| CLogS | -4.468 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 209.96 |
| Relative PSA | 0.13122 |
| PolarSurfaceArea | 39.58 |
| Druglikeness | -5.3966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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