3-[[4-chloro-5-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid

Formula:C17H12N3O5ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-chloro-5-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[4-chloro-5-[(Z)-(furan-2-carbonylhydrazinylidene)methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
MolecularFormula	C17H12N3O5ClS
Smiles	OC(c1cccc(CN(C(Cl)=C(/C=N\NC(c2ccco2)=O)S2)C2=O)c1)=O
InChI	InChI=1S/C17H12ClN3O5S/c18-14-13(8-19-20-15(22)12-5-2-6-26-12)27-17(25)21(14)9-10-3-1-4-11(7-10)16(23)24/h1-8H,9H2,(H,20,22)(H,23,24)
InChIK	MCBICAFGJMQRBB-UHFFFAOYSA-N
TotalMolweight	405.817
Molweight	405.817
MonoisotopicMass	405.018619
CLogP	2.2457
CLogS	-5.023
H Acceptors	8
H Donors	2
TotalSurfaceArea	284.92
Relative PSA	0.38727
PolarSurfaceArea	137.51
Druglikeness	7.31
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

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