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

Formula:C14H9NO4Cl2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 2,4-dichlorobenzoate is a drug-like molecule.

MolName	[(E)-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 2,4-dichlorobenzoate
MolecularFormula	C14H9NO4Cl2S2
Smiles	O=C(c(ccc(Cl)c1)c1Cl)O/N=C(\CC1)/c(ccs2)c2S1(=O)=O
InChI	InChI=1S/C14H9Cl2NO4S2/c15-8-1-2-9(11(16)7-8)13(18)21-17-12-4-6-23(19,20)14-10(12)3-5-22-14/h1-3,5,7H,4,6H2
InChIK	CEECJVYSRAXUIS-UHFFFAOYSA-N
TotalMolweight	390.266
Molweight	390.266
MonoisotopicMass	388.935003
CLogP	3.9908
CLogS	-5.985
H Acceptors	5
TotalSurfaceArea	253.12
Relative PSA	0.32984
PolarSurfaceArea	109.42
Druglikeness	-2.8358
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	1
StereoCon

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

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