Name: (+)-9-nitro-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline hydrochloride
SMILES:
Cl.O=[N+]([O-])c1ccc2c(c1)C1CCCN1CC2Molecular Processing
Molecular formula
C12H15ClN2O2
Molecular weight
254.72
Exact mass
254.0822
XLogP
2.71
TPSA
46.38
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
67.6
Supplementary Information
Details werden geladen…
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