SMILES:
CC1CN(C(=O)OC(C)(C)C)CC2Cc3ccc(Br)nc3N12Molecular Processing
Molecular formula
C16H22BrN3O2
Molecular weight
368.27
Exact mass
367.0895
XLogP
3.21
TPSA
45.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
89.18
Supplementary Information
Details werden geladen…
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