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