[(14E,20E)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-yl] hydrogen sulfate

Formula:C23H24O8S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(14E,20E)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-yl] hydrogen sulfate is a drug-like molecule.

MolName	[(14E,20E)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-yl] hydrogen sulfate
MolecularFormula	C23H24O8S2
Smiles	C#C/C=C/CCCC/C=C/C#CC#CCCCC#CC#CC(COS(O)(=O)=O)OS(O)(=O)=O
InChI	InChI=1S/C23H24O8S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(31-33(27,28)29)22-30-32(24,25)26/h1,3-4,9-10,23H,5-8,15-17,22H2,(H,24,25,26)(H,27,28,29)/t23-/m1/s1
InChIK	GQUYGXMGQSYNKX-HSZRJFAPSA-N
TotalMolweight	492.568
Molweight	492.568
MonoisotopicMass	492.09126
CLogP	2.5324
CLogS	-9.638
H Acceptors	8
H Donors	2
TotalSurfaceArea	421.95
Relative PSA	0.24496
PolarSurfaceArea	143.96
Druglikeness	-15.648
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	alkyl sulfonate/sulfate type
Shape Index	0.78788
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	14
Sp3Atoms	15
Symmetricatoms	2
AcidicOxygens	2
StereoCon	racemate

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1 - [(14E,20E)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-yl] hydrogen sulfate | 2 - [(14E,20E)-1-sulfooxytricosa-14,20-dien-3,5,10,12,22-pentayn-2-yl] hydrogen sulfate

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