CC(C)C1(CCc2ccccc2CO)CC(O)=C(Sc2sc3ccccc3c2C(C)(C)C)C(=O)O1
SMILES: CC(C)C1(CCc2ccccc2CO)CC(O)=C(Sc2sc3ccccc3c2C(C)(C)C)C(=O)O1

Molecular Processing

Molecular formula
C29H34O4S2
Molecular weight
510.72
Exact mass
510.1899
XLogP
7.53
TPSA
66.76
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
145

Supplementary Information

Details werden geladen…

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