SMILES:
Cc1c(Br)c2c(N)ncnn2c1CN1CCOCC1Molecular Processing
Molecular formula
C12H16BrN5O
Molecular weight
326.2
Exact mass
325.0538
XLogP
1.21
TPSA
68.68
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
75.93
Supplementary Information
Details werden geladen…
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