(E)-3-[1-[(3,5-difluorophenyl)methyl]indol-3-yl]prop-2-enoic acid
Formula:C18H13NO2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[1-[(3,5-difluorophenyl)methyl]indol-3-yl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[1-[(3,5-difluorophenyl)methyl]indol-3-yl]prop-2-enoic acid |
| MolecularFormula | C18H13NO2F2 |
| Smiles | OC(/C=C/c1cn(Cc2cc(F)cc(F)c2)c2c1cccc2)=O |
| InChI | InChI=1S/C18H13F2NO2/c19-14-7-12(8-15(20)9-14)10-21-11-13(5-6-18(22)23)16-3-1-2-4-17(16)21/h1-9,11H,10H2,(H,22,23) |
| InChIK | FMNWUSCUVBOPPC-UHFFFAOYSA-N |
| TotalMolweight | 313.302 |
| Molweight | 313.302 |
| MonoisotopicMass | 313.091435 |
| CLogP | 3.2052 |
| CLogS | -3.605 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 233.88 |
| Relative PSA | 0.14114 |
| PolarSurfaceArea | 42.23 |
| Druglikeness | 1.5365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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