(E)-3-[6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
Molecular Formula : C16H10N2O2Br2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |(E)-3-[6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is a drug-like molecule.
MolName : (E)-3-[6-bromo-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid |
MolecularFormula : C16H10N2O2Br2 |
Smiles : OC(/C=C/c1c(-c(cc2)ccc2Br)nc(cc2)n1cc2Br)=O |
InChI : InChI=1S/C16H10Br2N2O2/c17-11-3-1-10(2-4-11)16-13(6-8-15(21)22)20-9-12(18)5-7-14(20)19-16/h1-9H,(H,21,22) |
InChIK : SPGBZFPFNIPVPZ-UHFFFAOYSA-N |
TotalMolweight : 422.075 |
Molweight : 422.075 |
MonoisotopicMass : 419.9109 |
CLogP : 3.5006 |
CLogS : -6.75 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 244.89 |
Relative PSA : 0.184 |
PolarSurfaceArea : 54.6 |
Druglikeness : -3.0679 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 2 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |