SMILES:
CCN1CCN(CC#CC(=O)Nc2ccc3ncc(C#N)c(Nc4cccc(Br)c4)c3c2)CC1Molecular Processing
Molecular formula
C26H25BrN6O
Molecular weight
517.43
Exact mass
516.1273
XLogP
4.19
TPSA
84.29
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
138.84
Supplementary Information
Details werden geladen…
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