2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

Formula:C18H15N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is a drug-like molecule.

MolName	2-[(2E,5R)-2-[(Z)-benzylidenehydrazinylidene]-3-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
MolecularFormula	C18H15N3O4S
Smiles	OC(C[C@H](C(N1c(cc2)ccc2O)=O)S/C1=N/N=C\c1ccccc1)=O
InChI	InChI=1S/C18H15N3O4S/c22-14-8-6-13(7-9-14)21-17(25)15(10-16(23)24)26-18(21)20-19-11-12-4-2-1-3-5-12/h1-9,11,15,22H,10H2,(H,23,24)/t15-/m1/s1
InChIK	ZFXSHIOAVVLRMG-OAHLLOKOSA-N
TotalMolweight	369.4
Molweight	369.4
MonoisotopicMass	369.078327
CLogP	3.8213
CLogS	-4.639
H Acceptors	7
H Donors	2
TotalSurfaceArea	269.5
Relative PSA	0.35748
PolarSurfaceArea	127.86
Druglikeness	6.0297
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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