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

Formula:C13H11N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[5-[(Z)-(carbamoylhydrazinylidene)methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[5-[(Z)-(carbamoylhydrazinylidene)methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
MolecularFormula	C13H11N4O4ClS
Smiles	NC(N/N=C\C(SC(N1Cc2cc(C(O)=O)ccc2)=O)=C1Cl)=O
InChI	InChI=1S/C13H11ClN4O4S/c14-10-9(5-16-17-12(15)21)23-13(22)18(10)6-7-2-1-3-8(4-7)11(19)20/h1-5H,6H2,(H,19,20)(H3,15,17,21)
InChIK	DAYQFLYJPUHGGM-UHFFFAOYSA-N
TotalMolweight	354.773
Molweight	354.773
MonoisotopicMass	354.018953
CLogP	0.9907
CLogS	-4.434
H Acceptors	8
H Donors	3
TotalSurfaceArea	243.99
Relative PSA	0.45699
PolarSurfaceArea	150.39
Druglikeness	7.2056
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; imine/hydrazone of aldehyde
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Amides	2
AcidicOxygens	1
StereoCon

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