2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

Formula:C14H12N2O5S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid is a drug-like molecule.

MolName	2-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid
MolecularFormula	C14H12N2O5S2
Smiles	OC(CCC(C(O)=O)N(C(/C(/S1)=C/c2ccncc2)=O)C1=S)=O
InChI	InChI=1S/C14H12N2O5S2/c17-11(18)2-1-9(13(20)21)16-12(19)10(23-14(16)22)7-8-3-5-15-6-4-8/h3-7,9H,1-2H2,(H,17,18)(H,20,21)/t9-/m0/s1
InChIK	BCBGDOXOICKMGD-VIFPVBQESA-N
TotalMolweight	352.39
Molweight	352.39
MonoisotopicMass	352.018763
CLogP	-0.482
CLogS	-2.511
H Acceptors	7
H Donors	2
TotalSurfaceArea	249.7
Relative PSA	0.50192
PolarSurfaceArea	165.19
Druglikeness	0.42218
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	2
StereoCon	racemate

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