Name: 5-(4-bromophenyl)-5-(carboxymethyl)-5H-imidazo[2,1-a]isoindol-1-ium trifluoroacetate
SMILES:
O=C(O)CC1(c2ccc(Br)cc2)c2ccccc2-c2[nH+]ccn21.O=C([O-])C(F)(F)FMolecular Processing
Molecular formula
C20H14BrF3N2O4
Molecular weight
483.24
Exact mass
482.0089
XLogP
2.61
TPSA
96.5
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.15
Molar refractivity
100.06
Supplementary Information
Details werden geladen…
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