(E)-1-(4-bromophenyl)-3-(3,5-difluorophenyl)prop-2-en-1-one

Formula:C15H9OBrF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-bromophenyl)-3-(3,5-difluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName(E)-1-(4-bromophenyl)-3-(3,5-difluorophenyl)prop-2-en-1-one
MolecularFormulaC15H9OBrF2
SmilesO=C(/C=C/c1cc(F)cc(F)c1)c(cc1)ccc1Br
InChIInChI=1S/C15H9BrF2O/c16-12-4-2-11(3-5-12)15(19)6-1-10-7-13(17)9-14(18)8-10/h1-9H
InChIKYXLXIDYHXGTBAU-UHFFFAOYSA-N
TotalMolweight323.135
Molweight323.135
MonoisotopicMass321.980482
CLogP4.2306
CLogS-5.302
H Acceptors1
TotalSurfaceArea208.6
Relative PSA0.062512
PolarSurfaceArea17.07
Druglikeness-3.0175
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.63158
Fragments1
Non HAtoms19
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Symmetricatoms5
StereoCon

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