(E)-3-(3,4-dichloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one
Molecular Formula : C15H10NOCl2F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(3,4-dichloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(3,4-dichloroanilino)-1-(4-fluorophenyl)prop-2-en-1-one |
MolecularFormula : C15H10NOCl2F |
Smiles : O=C(/C=C/Nc(cc1)cc(Cl)c1Cl)c(cc1)ccc1F |
InChI : InChI=1S/C15H10Cl2FNO/c16-13-6-5-12(9-14(13)17)19-8-7-15(20)10-1-3-11(18)4-2-10/h1-9,19H |
InChIK : VLKYPRNKORRADC-UHFFFAOYSA-N |
TotalMolweight : 310.154 |
Molweight : 310.154 |
MonoisotopicMass : 309.012346 |
CLogP : 3.7873 |
CLogS : -5.572 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 225.92 |
Relative PSA : 0.10845 |
PolarSurfaceArea : 29.1 |
Druglikeness : -0.68199 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.7 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Symmetricatoms : 2 |
StereoCon : |