이름: product
SMILES:
Oc1cccc2c1CC(=CCCN1CCC3(CC1)OCc1cc(Cl)ccc13)c1cccnc1O2Molecular Processing
Molecular formula
C28H27ClN2O3
Molecular weight
474.99
Exact mass
474.171
XLogP
6.08
TPSA
54.82
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
132.31
Supplementary Information
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