(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)prop-2-en-1-one

Formula:C17H9OClF6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)prop-2-en-1-one
MolecularFormula	C17H9OClF6
Smiles	O=C(/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c(cc1)ccc1Cl
InChI	InChI=1S/C17H9ClF6O/c18-14-4-2-11(3-5-14)15(25)6-1-10-7-12(16(19,20)21)9-13(8-10)17(22,23)24/h1-9H
InChIK	XVAHEUCWKVLOHU-UHFFFAOYSA-N
TotalMolweight	378.698
Molweight	378.698
MonoisotopicMass	378.02461
CLogP	5.6064
CLogS	-6.132
H Acceptors	1
TotalSurfaceArea	251.61
Relative PSA	0.051826
PolarSurfaceArea	17.07
Druglikeness	-6.9923
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	10
StereoCon

Click to Load Molecule:

1 - (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)prop-2-en-1-one | 2 - (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)prop-2-en-1-one

Request More Details | (E)-3-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments