SMILES:
CCN(CC)CCOc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1Molecular Processing
Molecular formula
C18H21BrN4O
Molecular weight
389.3
Exact mass
388.0899
XLogP
4.11
TPSA
54.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
100.31
Supplementary Information
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