SMILES:
O=C(O)C[C@H]1CCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21Molecular Processing
Molecular formula
C20H16BrClFNO2
Molecular weight
436.71
Exact mass
435.0037
XLogP
5.75
TPSA
42.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
103.46
Supplementary Information
Details werden geladen…
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