SMILES:
COc1ccc(Cc2sc3cc(OC)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1Molecular Processing
Molecular formula
C31H33NO4S
Molecular weight
515.68
Exact mass
515.213
XLogP
6.61
TPSA
48
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
149.84
Supplementary Information
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