(E)-3-(4-chloroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one
Molecular Formula : C18H17NO2ClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(4-chloroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(4-chloroanilino)-1-[4-(3-fluoropropoxy)phenyl]prop-2-en-1-one |
MolecularFormula : C18H17NO2ClF |
Smiles : O=C(/C=C/Nc(cc1)ccc1Cl)c(cc1)ccc1OCCCF |
InChI : InChI=1S/C18H17ClFNO2/c19-15-4-6-16(7-5-15)21-12-10-18(22)14-2-8-17(9-3-14)23-13-1-11-20/h2-10,12,21H,1,11,13H2 |
InChIK : AUBMFVYEKTYSKM-UHFFFAOYSA-N |
TotalMolweight : 333.789 |
Molweight : 333.789 |
MonoisotopicMass : 333.093184 |
CLogP : 3.6456 |
CLogS : -5.185 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 261.78 |
Relative PSA : 0.13179 |
PolarSurfaceArea : 38.33 |
Druglikeness : -1.1986 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.78261 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 8 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 4 |
StereoCon : |