2,5-bis[(E)-2-carboxylatoethenyl]terephthalate

Formula:C14H6O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,5-bis[(E)-2-carboxylatoethenyl]terephthalate is a drug-like molecule.

MolName	2,5-bis[(E)-2-carboxylatoethenyl]terephthalate
MolecularFormula	C14H6O8
Smiles	[O-]C(/C=C/c1cc(C([O-])=O)c(/C=C/C([O-])=O)cc1C([O-])=O)=O
InChI	InChI=1S/C14H10O8/c15-11(16)3-1-7-5-10(14(21)22)8(2-4-12(17)18)6-9(7)13(19)20/h1-6H,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/p-4
InChIK	MWZVJPBFDLXUHM-UHFFFAOYSA-J
TotalMolweight	302.194
Molweight	302.194
MonoisotopicMass	302.00627
CLogP	-8.0456
CLogS	-2.408
H Acceptors	8
TotalSurfaceArea	227.38
Relative PSA	0.48061
PolarSurfaceArea	160.52
Druglikeness	-0.65021
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
Symmetricatoms	11
AcidicOxygens	4
StereoCon

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