Name: 3-chloroestra-1,3,5(10)-trien-17-one
SMILES:
C[C@]12CC[C@@H]3c4ccc(Cl)cc4CC[C@H]3[C@@H]1CCC2=OMolecular Processing
Molecular formula
C18H21ClO
Molecular weight
288.82
Exact mass
288.1281
XLogP
4.77
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
20
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
81.08
Supplementary Information
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