(E)-3-[4-chloro-3-(trifluoromethyl)anilino]-1-(4-phenylphenyl)prop-2-en-1-one
Formula:C22H15NOClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-chloro-3-(trifluoromethyl)anilino]-1-(4-phenylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[4-chloro-3-(trifluoromethyl)anilino]-1-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C22H15NOClF3 |
| Smiles | O=C(/C=C/Nc(cc1)cc(C(F)(F)F)c1Cl)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C22H15ClF3NO/c23-20-11-10-18(14-19(20)22(24,25)26)27-13-12-21(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14,27H |
| InChIK | PMHZNBBAOIDKBC-UHFFFAOYSA-N |
| TotalMolweight | 401.814 |
| Molweight | 401.814 |
| MonoisotopicMass | 401.079425 |
| CLogP | 5.588 |
| CLogS | -7.386 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 293.37 |
| Relative PSA | 0.083512 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -6.532 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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