5-[[3-[(Z)-2-cyano-2-(4-fluorophenyl)ethenyl]indol-1-yl]methyl]furan-2-carboxylic acid
Formula:C23H15N2O3F
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
5-[[3-[(Z)-2-cyano-2-(4-fluorophenyl)ethenyl]indol-1-yl]methyl]furan-2-carboxylic acid is a drug-like molecule.
| MolName | 5-[[3-[(Z)-2-cyano-2-(4-fluorophenyl)ethenyl]indol-1-yl]methyl]furan-2-carboxylic acid |
| MolecularFormula | C23H15N2O3F |
| Smiles | N#C/C(/c(cc1)ccc1F)=C\c1cn(Cc2ccc(C(O)=O)o2)c2c1cccc2 |
| InChI | InChI=1S/C23H15FN2O3/c24-18-7-5-15(6-8-18)16(12-25)11-17-13-26(21-4-2-1-3-20(17)21)14-19-9-10-22(29-19)23(27)28/h1-11,13H,14H2,(H,27,28) |
| InChIK | PAMVZUDSKROARJ-UHFFFAOYSA-N |
| TotalMolweight | 386.381 |
| Molweight | 386.381 |
| MonoisotopicMass | 386.106671 |
| CLogP | 3.6909 |
| CLogS | -4.64 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.9 |
| Relative PSA | 0.20438 |
| PolarSurfaceArea | 79.16 |
| Druglikeness | -3.2533 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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