SMILES:
Cc1cccc(Nc2ncnc3ccc(OCCBr)cc23)c1Molecular Processing
Molecular formula
C17H16BrN3O
Molecular weight
358.24
Exact mass
357.0477
XLogP
4.46
TPSA
47.04
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
93.29
Supplementary Information
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