Name: 230a
SMILES:
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc(Br)cn1Molecular Processing
Molecular formula
C14H21BrN4O2
Molecular weight
357.25
Exact mass
356.0848
XLogP
2.68
TPSA
58.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
84.35
Supplementary Information
Details werden geladen…
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