SMILES:
CC(C)(C)OC(=O)N1CCC(Nc2ncc(Br)cn2)CC1Molecular Processing
Molecular formula
C14H21BrN4O2
Molecular weight
357.25
Exact mass
356.0848
XLogP
3.05
TPSA
67.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
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
0.643
Molar refractivity
84.18
Supplementary Information
Details werden geladen…
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