Name: Compound 2b
SMILES:
Brc1cnc(N2CCOCC2)c2nc(/C=C/c3ccc4ccccc4n3)cn12Molecular Processing
Molecular formula
C21H18BrN5O
Molecular weight
436.31
Exact mass
435.0695
XLogP
4.05
TPSA
55.55
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
114.39
Supplementary Information
Details werden geladen…
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