Name: product
SMILES:
CCOP(=O)(OCC)C(F)(F)c1cc2nc(C(=O)O)ccc2cc1BrMolecular Processing
Molecular formula
C15H15BrF2NO5P
Molecular weight
438.16
Exact mass
436.9839
XLogP
5.01
TPSA
85.72
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
91.15
Supplementary Information
Details werden geladen…
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