Name: 189b
SMILES:
CC(C)(C)OC(=O)N1CCN(c2cnc(Br)cn2)CC1Molecular Processing
Molecular formula
C13H19BrN4O2
Molecular weight
343.23
Exact mass
342.0691
XLogP
2.3
TPSA
58.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
79.75
Supplementary Information
Details werden geladen…
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