2-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Formula:C19H12N2O6S3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
MolecularFormula	C19H12N2O6S3
Smiles	OC(CC(C(O)=O)N(C(/C(/S1)=C/c2ccc(-c3nc(cccc4)c4s3)o2)=O)C1=S)=O
InChI	InChI=1S/C19H12N2O6S3/c22-15(23)8-11(18(25)26)21-17(24)14(30-19(21)28)7-9-5-6-12(27-9)16-20-10-3-1-2-4-13(10)29-16/h1-7,11H,8H2,(H,22,23)(H,25,26)/t11-/m0/s1
InChIK	ZUTDAWTWLZTAEP-NSHDSACASA-N
TotalMolweight	460.51
Molweight	460.51
MonoisotopicMass	459.985748
CLogP	1.1764
CLogS	-3.971
H Acceptors	8
H Donors	2
TotalSurfaceArea	315.93
Relative PSA	0.50581
PolarSurfaceArea	206.57
Druglikeness	3.0041
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	6
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon	racemate

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1 - 2-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid | 2 - 2-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Request More Details | 2-[(5Z)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

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