CC([O-])=[SH]CCCCCOc1ccc(C2=C(c3ccccc3)CCCc3cc(OC4CCCCO4)ccc32)cc1
SMILES: CC([O-])=[SH]CCCCCOc1ccc(C2=C(c3ccccc3)CCCc3cc(OC4CCCCO4)ccc32)cc1

Molecular Processing

Molecular formula
C35H41O4S-
Molecular weight
557.78
Exact mass
557.2731
XLogP
7.41
TPSA
50.75
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
166.28

Supplementary Information

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