Name: 2-benzyl-5-methoxy-2,3,3a,8a-tetrahydro-1H-2-aza-cyclopenta[a]inden-8-one
SMILES:
COc1ccc2c(c1)C1CN(Cc3ccccc3)CC1C2=OMolecular Processing
Molecular formula
C19H19NO2
Molecular weight
293.37
Exact mass
293.1416
XLogP
3.11
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
85.27
Supplementary Information
Details werden geladen…
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