(E)-1-[2-[(4-chlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
Formula:C23H17NO3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[2-[(4-chlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-[2-[(4-chlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one |
| MolecularFormula | C23H17NO3ClF3 |
| Smiles | O=C(/C=C/Nc(cc1)ccc1OC(F)(F)F)c(cccc1)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H17ClF3NO3/c24-17-7-5-16(6-8-17)15-30-22-4-2-1-3-20(22)21(29)13-14-28-18-9-11-19(12-10-18)31-23(25,26)27/h1-14,28H,15H2 |
| InChIK | QBPTZZLYUQPGPC-UHFFFAOYSA-N |
| TotalMolweight | 447.839 |
| Molweight | 447.839 |
| MonoisotopicMass | 447.084905 |
| CLogP | 5.5276 |
| CLogS | -6.886 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 327.13 |
| Relative PSA | 0.13603 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -7.5988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - (E)-1-[2-[(4-chlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one | 2 - (E)-1-[2-[(4-chlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
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