Name: 17α-Ethynyl-17β-hydroxy-6-β-(N-phenyl-N-ethylaminomethyl)-16-methyleneandrosta-4-en-3-one
SMILES:
C#C[C@]1(O)C(=C)C[C@H]2[C@@H]3C[C@@H](CN(CC)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21CMolecular Processing
Molecular formula
C31H39NO2
Molecular weight
457.66
Exact mass
457.2981
XLogP
5.8
TPSA
40.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
34
Rings
5
Aromatic rings
1
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.581
Molar refractivity
138.22
Supplementary Information
Details werden geladen…
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