Название: methyl 17β-benzoyl-estra-1,3,5(10)-triene-3-carboxylate
SMILES:
COC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)c3ccccc3)CC[C@@H]12Molecular Processing
Molecular formula
C27H30O3
Molecular weight
402.53
Exact mass
402.2195
XLogP
5.83
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
116.66
Supplementary Information
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