(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
Molecular Formula : C23H16NO3Cl2F3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one is not a drug-like molecule.
MolName : (E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one |
MolecularFormula : C23H16NO3Cl2F3 |
Smiles : O=C(/C=C/Nc(cc1)ccc1OC(F)(F)F)c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl |
InChI : InChI=1S/C23H16Cl2F3NO3/c24-17-4-1-16(21(25)13-17)14-31-19-7-2-15(3-8-19)22(30)11-12-29-18-5-9-20(10-6-18)32-23(26,27)28/h1-13,29H,14H2 |
InChIK : OUIFXPUTARPXEK-UHFFFAOYSA-N |
TotalMolweight : 482.284 |
Molweight : 482.284 |
MonoisotopicMass : 481.045932 |
CLogP : 6.1336 |
CLogS : -7.622 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 342.55 |
Relative PSA : 0.12991 |
PolarSurfaceArea : 47.56 |
Druglikeness : -7.5988 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.6875 |
Fragments : 1 |
Non HAtoms : 32 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 9 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 4 |
Symmetricatoms : 6 |
StereoCon : |
1 - (E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
2 - (E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3-[4-(trifluoromethoxy)anilino]prop-2-en-1-one
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |