(Z)-4-oxo-4-[(5-thiophen-2-ylthiophen-2-yl)methylamino]but-2-enoic acid

Formula:C13H11NO3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-oxo-4-[(5-thiophen-2-ylthiophen-2-yl)methylamino]but-2-enoic acid is a drug-like molecule.

MolName	(Z)-4-oxo-4-[(5-thiophen-2-ylthiophen-2-yl)methylamino]but-2-enoic acid
MolecularFormula	C13H11NO3S2
Smiles	OC(/C=C\C(NCc1ccc(-c2cccs2)s1)=O)=O
InChI	InChI=1S/C13H11NO3S2/c15-12(5-6-13(16)17)14-8-9-3-4-11(19-9)10-2-1-7-18-10/h1-7H,8H2,(H,14,15)(H,16,17)
InChIK	CPPSMHJHOJPYOG-UHFFFAOYSA-N
TotalMolweight	293.366
Molweight	293.366
MonoisotopicMass	293.018034
CLogP	2.2414
CLogS	-3.599
H Acceptors	4
H Donors	2
TotalSurfaceArea	218.47
Relative PSA	0.41818
PolarSurfaceArea	122.88
Druglikeness	3.5829
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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