COC(=O)c1cc2c(cc1OC(C)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
Nombre: methyl 3-acetoxyestra-1,3,5(10)-trien-17-one-2-carboxylate
SMILES: COC(=O)c1cc2c(cc1OC(C)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

Molecular Processing

Molecular formula
C22H26O5
Molecular weight
370.45
Exact mass
370.178
XLogP
3.82
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
98.71

Supplementary Information

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