2-[2-[(Z)-(2-benzylsulfanyl-5-oxo-1,3-thiazol-4-ylidene)methyl]-4-bromophenoxy]acetic acid

Formula:C19H14NO4BrS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-(2-benzylsulfanyl-5-oxo-1,3-thiazol-4-ylidene)methyl]-4-bromophenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-(2-benzylsulfanyl-5-oxo-1,3-thiazol-4-ylidene)methyl]-4-bromophenoxy]acetic acid
MolecularFormula	C19H14NO4BrS2
Smiles	OC(COc(cc1)c(/C=C2\N=C(SCc3ccccc3)SC2=O)cc1Br)=O
InChI	InChI=1S/C19H14BrNO4S2/c20-14-6-7-16(25-10-17(22)23)13(8-14)9-15-18(24)27-19(21-15)26-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,23)
InChIK	XFCXDQLOWYYMPG-UHFFFAOYSA-N
TotalMolweight	464.359
Molweight	464.359
MonoisotopicMass	462.95476
CLogP	4.1057
CLogS	-5.342
H Acceptors	5
H Donors	1
TotalSurfaceArea	300.18
Relative PSA	0.31871
PolarSurfaceArea	126.56
Druglikeness	0.51038
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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1 - 2-[2-[(Z)-(2-benzylsulfanyl-5-oxo-1,3-thiazol-4-ylidene)methyl]-4-bromophenoxy]acetic acid | 2 - 2-[2-[(Z)-(2-benzylsulfanyl-5-oxo-1,3-thiazol-4-ylidene)methyl]-4-bromophenoxy]acetic acid

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