(E)-3-[6-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
Molecular Formula : C16H10N3O4Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |(E)-3-[6-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is a drug-like molecule.
MolName : (E)-3-[6-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid |
MolecularFormula : C16H10N3O4Br |
Smiles : [O-][N+](c(cc1)ccc1-c1c(/C=C/C(O)=O)n(cc(cc2)Br)c2n1)=O |
InChI : InChI=1S/C16H10BrN3O4/c17-11-3-7-14-18-16(10-1-4-12(5-2-10)20(23)24)13(19(14)9-11)6-8-15(21)22/h1-9H,(H,21,22) |
InChIK : MQWRNAQJRVPKHJ-UHFFFAOYSA-N |
TotalMolweight : 388.176 |
Molweight : 388.176 |
MonoisotopicMass : 386.985468 |
CLogP : 1.8538 |
CLogS : -6.376 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 249.93 |
Relative PSA : 0.302 |
PolarSurfaceArea : 100.42 |
Druglikeness : -8.1279 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : aromatic nitro |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 2 |
BasicNitrogens : 1 |
AcidicOxygens : 2 |
StereoCon : |