SMILES:
CCCCCCCCOc1ccc(-c2ncc(Br)cn2)c(F)c1FMolecular Processing
Molecular formula
C18H21BrF2N2O
Molecular weight
399.28
Exact mass
398.0805
XLogP
5.92
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
93.96
Supplementary Information
Details werden geladen…
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