CCOC(COC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl)OCC
SMILES: CCOC(COC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CCl)OCC

Molecular Processing

Molecular formula
C27H38ClFO7
Molecular weight
529.05
Exact mass
528.229
XLogP
3.29
TPSA
102.29
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
131.19

Supplementary Information

Details werden geladen…

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