SMILES:
CCCCCC(OCc1ccc(OC)cc1)c1ccc(C2C(CCCc3ccc(C(=O)OC)s3)CCC2(Cl)Cl)cc1Molecular Processing
Molecular formula
C34H42Cl2O4S
Molecular weight
617.68
Exact mass
616.2181
XLogP
10.07
TPSA
44.76
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
15
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
169.61
Supplementary Information
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