Name: mixture
SMILES:
COc1ccc(Cn2c(C#N)c(CCCOc3cccc4ccccc34)c3cccc(-c4ccccc4C)c32)cc1Molecular Processing
Molecular formula
C37H32N2O2
Molecular weight
536.68
Exact mass
536.2464
XLogP
8.71
TPSA
47.18
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
41
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.162
Molar refractivity
166.69
Supplementary Information
Details werden geladen…
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