SMILES:
Cc1c(Br)ccnc1C1=NC2(CC1)CCN(C)C2=OMolecular Processing
Molecular formula
C14H16BrN3O
Molecular weight
322.21
Exact mass
321.0477
XLogP
2.34
TPSA
45.56
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
77.43
Supplementary Information
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