الاسم: 8α-benzyloxycarbonylamino-6-cyanoergoline
SMILES:
N#CN1C[C@@H](NC(=O)OCc2ccccc2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21Molecular Processing
Molecular formula
C23H22N4O2
Molecular weight
386.46
Exact mass
386.1743
XLogP
3.66
TPSA
81.15
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
109.02
Supplementary Information
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