2-[3-[(E)-2-carboxylatoethenyl]phenyl]-1,3-dioxoisoindole-5-carboxylate

Formula:C18H9NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-[(E)-2-carboxylatoethenyl]phenyl]-1,3-dioxoisoindole-5-carboxylate is a drug-like molecule.

MolName	2-[3-[(E)-2-carboxylatoethenyl]phenyl]-1,3-dioxoisoindole-5-carboxylate
MolecularFormula	C18H9NO6
Smiles	[O-]C(/C=C/c1cccc(N(C(c(cc2)c3cc2C([O-])=O)=O)C3=O)c1)=O
InChI	InChI=1S/C18H11NO6/c20-15(21)7-4-10-2-1-3-12(8-10)19-16(22)13-6-5-11(18(24)25)9-14(13)17(19)23/h1-9H,(H,20,21)(H,24,25)/p-2
InChIK	CPNPPWFHIKCVMK-UHFFFAOYSA-L
TotalMolweight	335.27
Molweight	335.27
MonoisotopicMass	335.042989
CLogP	-2.3638
CLogS	-3.866
H Acceptors	7
TotalSurfaceArea	242.38
Relative PSA	0.34768
PolarSurfaceArea	117.64
Druglikeness	1.9749
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
AcidicOxygens	2
StereoCon

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