SMILES:
COc1ccc(-c2ccc(Cl)cc2)c(-c2ccc3cc(-c4nc5cc(C(=O)O)ccc5n4C4CCCCC4)ccc3n2)c1Molecular Processing
Molecular formula
C36H30ClN3O3
Molecular weight
588.11
Exact mass
587.1976
XLogP
9.45
TPSA
77.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
43
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.194
Molar refractivity
171.99
Supplementary Information
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