(E)-1-(4-bromophenyl)-3-(3,4-dichloroanilino)prop-2-en-1-one
Molecular Formula : C15H10NOBrCl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(4-bromophenyl)-3-(3,4-dichloroanilino)prop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(4-bromophenyl)-3-(3,4-dichloroanilino)prop-2-en-1-one |
MolecularFormula : C15H10NOBrCl2 |
Smiles : O=C(/C=C/Nc(cc1)cc(Cl)c1Cl)c(cc1)ccc1Br |
InChI : InChI=1S/C15H10BrCl2NO/c16-11-3-1-10(2-4-11)15(20)7-8-19-12-5-6-13(17)14(18)9-12/h1-9,19H |
InChIK : BYAPPSXALJWLRG-UHFFFAOYSA-N |
TotalMolweight : 371.06 |
Molweight : 371.06 |
MonoisotopicMass : 368.932279 |
CLogP : 4.4117 |
CLogS : -6.092 |
H Acceptors : 2 |
H Donors : 1 |
TotalSurfaceArea : 238.2 |
Relative PSA : 0.10285 |
PolarSurfaceArea : 29.1 |
Druglikeness : -1.132 |
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 : |