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

Formula:C19H13N3O4BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[5-[[(3-bromobenzoyl)hydrazinylidene]methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[5-[[(3-bromobenzoyl)hydrazinylidene]methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
MolecularFormula	C19H13N3O4BrClS
Smiles	OC(c1cccc(CN(C(Cl)=C(C=NNC(c2cccc(Br)c2)=O)S2)C2=O)c1)=O
InChI	InChI=1S/C19H13BrClN3O4S/c20-14-6-2-4-12(8-14)17(25)23-22-9-15-16(21)24(19(28)29-15)10-11-3-1-5-13(7-11)18(26)27/h1-9H,10H2,(H,23,25)(H,26,27)
InChIK	LFMAWGNNQXZKAW-UHFFFAOYSA-N
TotalMolweight	494.752
Molweight	494.752
MonoisotopicMass	492.949865
CLogP	3.7822
CLogS	-6.175
H Acceptors	7
H Donors	2
TotalSurfaceArea	313.86
Relative PSA	0.3066
PolarSurfaceArea	124.37
Druglikeness	5.4704
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

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