(E)-4-[benzyl-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoic acid

Formula:C21H17N2O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[benzyl-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[benzyl-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoic acid
MolecularFormula	C21H17N2O5Cl
Smiles	OC(/C=C/C(N(Cc1ccccc1)C(CC(N1c2cccc(Cl)c2)=O)C1=O)=O)=O
InChI	InChI=1S/C21H17ClN2O5/c22-15-7-4-8-16(11-15)24-19(26)12-17(21(24)29)23(18(25)9-10-20(27)28)13-14-5-2-1-3-6-14/h1-11,17H,12-13H2,(H,27,28)/t17-/m1/s1
InChIK	GHYJBKOJTMXARY-QGZVFWFLSA-N
TotalMolweight	412.828
Molweight	412.828
MonoisotopicMass	412.0826
CLogP	1.8474
CLogS	-3.661
H Acceptors	7
H Donors	1
TotalSurfaceArea	299.41
Relative PSA	0.24168
PolarSurfaceArea	94.99
Druglikeness	4.6997
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - (E)-4-[benzyl-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoic acid | 2 - (E)-4-[benzyl-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoic acid

Request More Details | (E)-4-[benzyl-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-oxobut-2-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments