SMILES:
CCN(CC#C[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(Cl)cc2)CC1)CCOCMolecular Processing
Molecular formula
C22H31ClN2O3
Molecular weight
406.95
Exact mass
406.2023
XLogP
4.3
TPSA
42.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
112.75
Supplementary Information
Details werden geladen…
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