(E)-4-[(5-chloro-1-benzothiophen-3-yl)methylamino]-4-oxobut-2-enoic acid

Formula:C13H10NO3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-[(5-chloro-1-benzothiophen-3-yl)methylamino]-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(E)-4-[(5-chloro-1-benzothiophen-3-yl)methylamino]-4-oxobut-2-enoic acid
MolecularFormula	C13H10NO3ClS
Smiles	OC(/C=C/C(NCc1csc(cc2)c1cc2Cl)=O)=O
InChI	InChI=1S/C13H10ClNO3S/c14-9-1-2-11-10(5-9)8(7-19-11)6-15-12(16)3-4-13(17)18/h1-5,7H,6H2,(H,15,16)(H,17,18)
InChIK	GHEBBOKVERUVIS-UHFFFAOYSA-N
TotalMolweight	295.745
Molweight	295.745
MonoisotopicMass	295.006991
CLogP	1.898
CLogS	-3.536
H Acceptors	4
H Donors	2
TotalSurfaceArea	212.79
Relative PSA	0.33366
PolarSurfaceArea	94.64
Druglikeness	2.6837
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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