Name: (3aR,6aR)-1-(5-iodopyridin-2-yl)hexahydro-cyclopenta[b]pyrrol-2(1H)-one
SMILES:
O=C1C[C@H]2CCC[C@H]2N1c1ccc(I)cn1Molecular Processing
Molecular formula
C12H13IN2O
Molecular weight
328.15
Exact mass
328.0073
XLogP
2.59
TPSA
33.2
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
70.19
Supplementary Information
Details werden geladen…
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