(E)-3-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid

Formula:C14H9N2O2BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
MolecularFormula	C14H9N2O2BrS
Smiles	OC(/C=C/c1c(-c(cc2)ccc2Br)nc2sccn12)=O
InChI	InChI=1S/C14H9BrN2O2S/c15-10-3-1-9(2-4-10)13-11(5-6-12(18)19)17-7-8-20-14(17)16-13/h1-8H,(H,18,19)
InChIK	HWGDGSWOAMODEV-UHFFFAOYSA-N
TotalMolweight	349.207
Molweight	349.207
MonoisotopicMass	347.956809
CLogP	2.9061
CLogS	-3.386
H Acceptors	4
H Donors	1
TotalSurfaceArea	222.2
Relative PSA	0.29442
PolarSurfaceArea	82.84
Druglikeness	0.81254
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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