C[C@]12CCC3=C(CCc4cc(O)ccc43)[C@@H]1CCC2=O
名称: 3-hydroxy-estra-1,3,5(10),8-tetraen-17-one
SMILES: C[C@]12CCC3=C(CCc4cc(O)ccc43)[C@@H]1CCC2=O

Molecular Processing

Molecular formula
C18H20O2
Molecular weight
268.36
Exact mass
268.1463
XLogP
3.87
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
20
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
78.42

Supplementary Information

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