3-[1,3-dioxo-5-[[(E)-3-phenylprop-2-enoyl]amino]isoindol-2-yl]propanoic acid

Formula:C20H16N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[1,3-dioxo-5-[[(E)-3-phenylprop-2-enoyl]amino]isoindol-2-yl]propanoic acid is a drug-like molecule.

MolName	3-[1,3-dioxo-5-[[(E)-3-phenylprop-2-enoyl]amino]isoindol-2-yl]propanoic acid
MolecularFormula	C20H16N2O5
Smiles	OC(CCN(C(c(cc1)c2cc1NC(/C=C/c1ccccc1)=O)=O)C2=O)=O
InChI	InChI=1S/C20H16N2O5/c23-17(9-6-13-4-2-1-3-5-13)21-14-7-8-15-16(12-14)20(27)22(19(15)26)11-10-18(24)25/h1-9,12H,10-11H2,(H,21,23)(H,24,25)
InChIK	DPXMBIWRHLIATC-UHFFFAOYSA-N
TotalMolweight	364.356
Molweight	364.356
MonoisotopicMass	364.105923
CLogP	2.0547
CLogS	-3.552
H Acceptors	7
H Donors	2
TotalSurfaceArea	272.65
Relative PSA	0.29441
PolarSurfaceArea	103.78
Druglikeness	2.1433
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[1,3-dioxo-5-[[(E)-3-phenylprop-2-enoyl]amino]isoindol-2-yl]propanoic acid | 2 - 3-[1,3-dioxo-5-[[(E)-3-phenylprop-2-enoyl]amino]isoindol-2-yl]propanoic acid

Request More Details | 3-[1,3-dioxo-5-[[(E)-3-phenylprop-2-enoyl]amino]isoindol-2-yl]propanoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments