(E)-1,1,1-trifluoro-4-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]but-3-en-2-one

Formula:C15H9NOF6S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1-trifluoro-4-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]but-3-en-2-one is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]but-3-en-2-one
MolecularFormula	C15H9NOF6S
Smiles	O=C(C(F)(F)F)/C=C(\c1cccs1)/Nc1cc(C(F)(F)F)ccc1
InChI	InChI=1S/C15H9F6NOS/c16-14(17,18)9-3-1-4-10(7-9)22-11(12-5-2-6-24-12)8-13(23)15(19,20)21/h1-8,22H
InChIK	ISLQYIWKJTXQTQ-UHFFFAOYSA-N
TotalMolweight	365.296
Molweight	365.296
MonoisotopicMass	365.030902
CLogP	4.3081
CLogS	-5.006
H Acceptors	2
H Donors	1
TotalSurfaceArea	241.8
Relative PSA	0.18553
PolarSurfaceArea	57.34
Druglikeness	-29.74
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.45833
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	4
StereoCon

Click to Load Molecule:

1 - (E)-1,1,1-trifluoro-4-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]but-3-en-2-one | 2 - (E)-1,1,1-trifluoro-4-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]but-3-en-2-one

Request More Details | (E)-1,1,1-trifluoro-4-thiophen-2-yl-4-[3-(trifluoromethyl)anilino]but-3-en-2-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments