SMILES:
O=C1N(Cc2ccccn2)c2ccc(Br)cc2C1(O)c1cc2c(cc1O)OCCO2Molecular Processing
Molecular formula
C22H17BrN2O5
Molecular weight
469.29
Exact mass
468.0321
XLogP
3.1
TPSA
92.12
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
111.66
Supplementary Information
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