SMILES:
NCCCOc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1Molecular Processing
Molecular formula
C15H15BrN4O
Molecular weight
347.22
Exact mass
346.0429
XLogP
3.12
TPSA
76.82
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
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
0.2
Molar refractivity
86.19
Supplementary Information
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