SMILES:
Cl.ClCCCl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12Molecular Processing
Molecular formula
C30H32Cl3NO4S
Molecular weight
609.02
Exact mass
607.1118
XLogP
7.96
TPSA
70
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.3
Molar refractivity
164.94
Supplementary Information
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