4-[5-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-chlorobenzoic acid

Formula:C17H10NO6ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[5-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-chlorobenzoic acid is a drug-like molecule.

MolName	4-[5-[(Z)-[3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
MolecularFormula	C17H10NO6ClS2
Smiles	OC(CN(C(/C(/S1)=C/c2ccc(-c(cc3)cc(Cl)c3C(O)=O)o2)=O)C1=S)=O
InChI	InChI=1S/C17H10ClNO6S2/c18-11-5-8(1-3-10(11)16(23)24)12-4-2-9(25-12)6-13-15(22)19(7-14(20)21)17(26)27-13/h1-6H,7H2,(H,20,21)(H,23,24)
InChIK	BYYYRLFWFOWDAA-UHFFFAOYSA-N
TotalMolweight	423.852
Molweight	423.852
MonoisotopicMass	422.963806
CLogP	1.5571
CLogS	-5.122
H Acceptors	7
H Donors	2
TotalSurfaceArea	289.55
Relative PSA	0.44369
PolarSurfaceArea	165.44
Druglikeness	-0.74151
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	1
AcidicOxygens	2
StereoCon

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