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

Formula:C14H9N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
MolecularFormula	C14H9N3O4S
Smiles	[O-][N+](c(cc1)ccc1-c1c(/C=C/C(O)=O)n(ccs2)c2n1)=O
InChI	InChI=1S/C14H9N3O4S/c18-12(19)6-5-11-13(15-14-16(11)7-8-22-14)9-1-3-10(4-2-9)17(20)21/h1-8H,(H,18,19)
InChIK	QZWRXQJZVOXGPE-UHFFFAOYSA-N
TotalMolweight	315.308
Molweight	315.308
MonoisotopicMass	315.031377
CLogP	1.2593
CLogS	-3.012
H Acceptors	7
H Donors	1
TotalSurfaceArea	227.24
Relative PSA	0.42176
PolarSurfaceArea	128.66
Druglikeness	-2.4471
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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