SMILES:
COc1cc(-c2ccc(C(=O)C(OC)c3ccc(-c4cnccn4)cc3)o2)cc(OC)c1BrMolecular Processing
Molecular formula
C25H21BrN2O5
Molecular weight
509.36
Exact mass
508.0634
XLogP
5.75
TPSA
83.68
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.16
Molar refractivity
126.5
Supplementary Information
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