(2E,8E)-2,9-bis(2-hydroxyethyl)deca-2,8-dienedioic acid

Formula:C14H22O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,8E)-2,9-bis(2-hydroxyethyl)deca-2,8-dienedioic acid is a drug-like molecule.

MolName	(2E,8E)-2,9-bis(2-hydroxyethyl)deca-2,8-dienedioic acid
MolecularFormula	C14H22O6
Smiles	OCC/C(/C(O)=O)=C\CCCC/C=C(\CCO)/C(O)=O
InChI	InChI=1S/C14H22O6/c15-9-7-11(13(17)18)5-3-1-2-4-6-12(8-10-16)14(19)20/h5-6,15-16H,1-4,7-10H2,(H,17,18)(H,19,20)
InChIK	ZRIFSLRFDAWOND-UHFFFAOYSA-N
TotalMolweight	286.323
Molweight	286.323
MonoisotopicMass	286.14164
CLogP	1.8236
CLogS	-1.412
H Acceptors	6
H Donors	4
TotalSurfaceArea	233.9
Relative PSA	0.33553
PolarSurfaceArea	115.06
Druglikeness	-8.4835
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	11
Sp3Atoms	12
Symmetricatoms	10
AcidicOxygens	2
StereoCon

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