Name: 17α-hydroxy-20-phenoxy-pregna-4,9(11), 20-trien-3-one
SMILES:
C=C(Oc1ccccc1)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21CMolecular Processing
Molecular formula
C27H32O3
Molecular weight
404.55
Exact mass
404.2351
XLogP
5.76
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
1
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
117.85
Supplementary Information
Details werden geladen…
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