(E)-4-[2-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]ethylamino]-4-oxobut-2-enoic acid

Formula:C17H16N2O6F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[2-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]ethylamino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[2-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]ethylamino]-4-oxobut-2-enoic acid
MolecularFormula	C17H16N2O6F6
Smiles	OC(/C=C/C(NCCNC(c(cc(cc1)OCC(F)(F)F)c1OCC(F)(F)F)=O)=O)=O
InChI	InChI=1S/C17H16F6N2O6/c18-16(19,20)8-30-10-1-2-12(31-9-17(21,22)23)11(7-10)15(29)25-6-5-24-13(26)3-4-14(27)28/h1-4,7H,5-6,8-9H2,(H,24,26)(H,25,29)(H,27,28)
InChIK	DBRIYOLXTOZAQE-UHFFFAOYSA-N
TotalMolweight	458.31
Molweight	458.31
MonoisotopicMass	458.091256
CLogP	1.6099
CLogS	-3.591
H Acceptors	8
H Donors	3
TotalSurfaceArea	316.24
Relative PSA	0.30085
PolarSurfaceArea	113.96
Druglikeness	-4.4958
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	12
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	9
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-4-[2-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]ethylamino]-4-oxobut-2-enoic acid | 2 - (E)-4-[2-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]ethylamino]-4-oxobut-2-enoic acid

Request More Details | (E)-4-[2-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]ethylamino]-4-oxobut-2-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments