2-[3-[(E)-3-[3-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid

Formula:C33H18N2O9 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-[(E)-3-[3-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid is not a drug-like molecule.

MolName	2-[3-[(E)-3-[3-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid
MolecularFormula	C33H18N2O9
Smiles	OC(c(cc1)cc(C(N2c3cccc(/C=C/C(c4cccc(N(C(c(cc5)c6cc5C(O)=O)=O)C6=O)c4)=O)c3)=O)c1C2=O)=O
InChI	InChI=1S/C33H18N2O9/c36-27(18-4-2-6-22(14-18)35-29(38)24-11-9-20(33(43)44)16-26(24)31(35)40)12-7-17-3-1-5-21(13-17)34-28(37)23-10-8-19(32(41)42)15-25(23)30(34)39/h1-16H,(H,41,42)(H,43,44)
InChIK	GXKWBPUERDODCG-UHFFFAOYSA-N
TotalMolweight	586.511
Molweight	586.511
MonoisotopicMass	586.101233
CLogP	3.9324
CLogS	-7.574
H Acceptors	11
H Donors	2
TotalSurfaceArea	409.59
Relative PSA	0.30416
PolarSurfaceArea	166.43
Druglikeness	2.4335
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52273
Fragments	1
Non HAtoms	44
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Amides	2
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - 2-[3-[(E)-3-[3-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid | 2 - 2-[3-[(E)-3-[3-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid

Request More Details | 2-[3-[(E)-3-[3-(5-carboxy-1,3-dioxoisoindol-2-yl)phenyl]-3-oxoprop-1-enyl]phenyl]-1,3-dioxoisoindole-5-carboxylic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments