SMILES:
Cc1ccc(-c2cccc(C(Cc3cc(Cl)c4cccnc4c3O)NC(=O)COCc3ccccc3)c2)s1Molecular Processing
Molecular formula
C31H27ClN2O3S
Molecular weight
543.09
Exact mass
542.1431
XLogP
7.25
TPSA
71.45
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
38
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.161
Molar refractivity
153.6
Supplementary Information
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