Name: mixture
SMILES:
COc1ccc(Cn2c(C#N)c(CCCOc3cccc4ccccc34)c3cccc(Br)c32)cc1Molecular Processing
Molecular formula
C30H25BrN2O2
Molecular weight
525.45
Exact mass
524.1099
XLogP
7.5
TPSA
47.18
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
144.21
Supplementary Information
Details werden geladen…
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