SMILES:
CC(C)(C)OC(=O)N1CCc2c(cnc3[nH]nc(Br)c23)C1Molecular Processing
Molecular formula
C14H17BrN4O2
Molecular weight
353.22
Exact mass
352.0535
XLogP
3.01
TPSA
71.11
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
81.94
Supplementary Information
Details werden geladen…
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