SMILES:
CCOCc1nc2cnc3cc(Br)ccc3c2n1CCCCNMolecular Processing
Molecular formula
C17H21BrN4O
Molecular weight
377.29
Exact mass
376.0899
XLogP
3.62
TPSA
65.96
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
23
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
0.412
Molar refractivity
96.35
Supplementary Information
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