SMILES:
CCOP(=O)(OCC)C(F)(F)c1cc2nc(C(=O)Nc3ccccc3)ccc2cc1BrMolecular Processing
Molecular formula
C21H20BrF2N2O4P
Molecular weight
513.28
Exact mass
512.0312
XLogP
6.57
TPSA
77.52
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
118.59
Supplementary Information
Details werden geladen…
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