(E)-4-oxo-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]but-2-enoic acid

Formula:C13H13N4O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-oxo-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]but-2-enoic acid is a drug-like molecule.

MolName	(E)-4-oxo-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]but-2-enoic acid
MolecularFormula	C13H13N4O3F3
Smiles	OC(/C=C/C(N(CC1)CCN1c1nccc(C(F)(F)F)n1)=O)=O
InChI	InChI=1S/C13H13F3N4O3/c14-13(15,16)9-3-4-17-12(18-9)20-7-5-19(6-8-20)10(21)1-2-11(22)23/h1-4H,5-8H2,(H,22,23)
InChIK	YNRQPJCWXCQPJB-UHFFFAOYSA-N
TotalMolweight	330.265
Molweight	330.265
MonoisotopicMass	330.093975
CLogP	0.5836
CLogS	-1.359
H Acceptors	7
H Donors	1
TotalSurfaceArea	230.73
Relative PSA	0.29567
PolarSurfaceArea	86.63
Druglikeness	-0.77849
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-4-oxo-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]but-2-enoic acid | 2 - (E)-4-oxo-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]but-2-enoic acid

Request More Details | (E)-4-oxo-4-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]but-2-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments