Name: cis-1,2,3,4,4a,5,6,10b-octahydro-benzo[f]quinoline
SMILES:
c1ccc2c(c1)CC[C@@H]1NCCC[C@H]21Molecular Processing
Molecular formula
C13H17N
Molecular weight
187.29
Exact mass
187.1361
XLogP
2.47
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
58.53
Supplementary Information
Details werden geladen…
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