5-tert-butyl-4-(2-tert-butyl-5-carboxylatothiophen-3-yl)thiophene-2-carboxylate

Formula:C18H20O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-tert-butyl-4-(2-tert-butyl-5-carboxylatothiophen-3-yl)thiophene-2-carboxylate is a drug-like molecule.

MolName	5-tert-butyl-4-(2-tert-butyl-5-carboxylatothiophen-3-yl)thiophene-2-carboxylate
MolecularFormula	C18H20O4S2
Smiles	CC(C)(C)c(sc(C([O-])=O)c1)c1-c1c(C(C)(C)C)sc(C([O-])=O)c1
InChI	InChI=1S/C18H22O4S2/c1-17(2,3)13-9(7-11(23-13)15(19)20)10-8-12(16(21)22)24-14(10)18(4,5)6/h7-8H,1-6H3,(H,19,20)(H,21,22)/p-2
InChIK	PIAVHZFTRPNQHS-UHFFFAOYSA-L
TotalMolweight	364.485
Molweight	364.485
MonoisotopicMass	364.0803
CLogP	1.1984
CLogS	-6.288
H Acceptors	4
TotalSurfaceArea	269.84
Relative PSA	0.35339
PolarSurfaceArea	136.74
Druglikeness	-1.4535
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.41667
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	10
Symmetricatoms	14
AcidicOxygens	2
StereoCon

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