이름: Compound 15
SMILES:
CO[C@@]12CC[C@@H](N)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5Molecular Processing
Molecular formula
C18H24N2O3
Molecular weight
316.4
Exact mass
316.1787
XLogP
1.16
TPSA
67.95
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
23
Rings
5
Aromatic rings
1
Saturated rings
2
Aliphatic rings
4
Stereo centers
5
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
85.89
Supplementary Information
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