(Z)-2-[4-(3-fluoropropoxy)phenyl]-3-(4-phenoxyanilino)prop-2-enenitrile
Formula:C24H21N2O2F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(Z)-2-[4-(3-fluoropropoxy)phenyl]-3-(4-phenoxyanilino)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-[4-(3-fluoropropoxy)phenyl]-3-(4-phenoxyanilino)prop-2-enenitrile |
| MolecularFormula | C24H21N2O2F |
| Smiles | N#C/C(/c(cc1)ccc1OCCCF)=C\Nc(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C24H21FN2O2/c25-15-4-16-28-22-11-7-19(8-12-22)20(17-26)18-27-21-9-13-24(14-10-21)29-23-5-2-1-3-6-23/h1-3,5-14,18,27H,4,15-16H2 |
| InChIK | IJVDTAQAZQUQFU-UHFFFAOYSA-N |
| TotalMolweight | 388.441 |
| Molweight | 388.441 |
| MonoisotopicMass | 388.158706 |
| CLogP | 4.464 |
| CLogS | -6.535 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 318.29 |
| Relative PSA | 0.14144 |
| PolarSurfaceArea | 54.28 |
| Druglikeness | -6.6179 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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