[(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] thiophene-2-carboxylate

Formula:C12H9NO4S3 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] thiophene-2-carboxylate is a drug-like molecule.

MolName	[(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] thiophene-2-carboxylate
MolecularFormula	C12H9NO4S3
Smiles	O=C(c1cccs1)O/N=C(\CC1)/c(ccs2)c2S1(=O)=O
InChI	InChI=1S/C12H9NO4S3/c14-11(10-2-1-5-18-10)17-13-9-4-7-20(15,16)12-8(9)3-6-19-12/h1-3,5-6H,4,7H2
InChIK	NSLRLYVZEWEPPS-UHFFFAOYSA-N
TotalMolweight	327.404
Molweight	327.404
MonoisotopicMass	326.969369
CLogP	2.6454
CLogS	-4.523
H Acceptors	5
TotalSurfaceArea	218.22
Relative PSA	0.4759
PolarSurfaceArea	137.66
Druglikeness	-2.6671
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	4
Symmetricatoms	1
StereoCon

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1 - [(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] thiophene-2-carboxylate | 2 - [(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] thiophene-2-carboxylate

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