الاسم: 4-[(8-phenethyl-8-azabicyclo[3.2.1]oct-3-ylidene)phenylmethyl]benzoic acid
SMILES:
O=C(O)c1ccc(C(=C2CC3CCC(C2)N3CCc2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C29H29NO2
Molecular weight
423.56
Exact mass
423.2198
XLogP
6.06
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
128.76
Supplementary Information
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