(E)-3-(4-chloroanilino)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one
Molecular Formula : C22H16NO2Cl3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(4-chloroanilino)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one is not a drug-like molecule.
MolName : (E)-3-(4-chloroanilino)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one |
MolecularFormula : C22H16NO2Cl3 |
Smiles : O=C(/C=C/Nc(cc1)ccc1Cl)c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl |
InChI : InChI=1S/C22H16Cl3NO2/c23-17-5-7-19(8-6-17)26-12-11-22(27)15-2-9-20(10-3-15)28-14-16-1-4-18(24)13-21(16)25/h1-13,26H,14H2 |
InChIK : UDFZBKMPPRVBTD-UHFFFAOYSA-N |
TotalMolweight : 432.733 |
Molweight : 432.733 |
MonoisotopicMass : 431.02466 |
CLogP : 5.6406 |
CLogS : -7.335 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 318.51 |
Relative PSA : 0.10832 |
PolarSurfaceArea : 38.33 |
Druglikeness : 0.40124 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.71429 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 7 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 2 |
Symmetricatoms : 4 |
StereoCon : |