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

Formula:C16H12NO5ClS3 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid is a drug-like molecule.

MolName	2-[(5Z)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
MolecularFormula	C16H12NO5ClS3
Smiles	OS(CCN(C(/C(/S1)=C/c2ccc(-c(cccc3)c3Cl)o2)=O)C1=S)(=O)=O
InChI	InChI=1S/C16H12ClNO5S3/c17-12-4-2-1-3-11(12)13-6-5-10(23-13)9-14-15(19)18(16(24)25-14)7-8-26(20,21)22/h1-6,9H,7-8H2,(H,20,21,22)
InChIK	WLBRBYWFYFMMAO-UHFFFAOYSA-N
TotalMolweight	429.924
Molweight	429.924
MonoisotopicMass	428.956611
CLogP	1.048
CLogS	-4.858
H Acceptors	6
H Donors	1
TotalSurfaceArea	290.04
Relative PSA	0.40639
PolarSurfaceArea	153.59
Druglikeness	-7.4355
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	1
Amides	1
AcidicOxygens	1
StereoCon

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