SMILES:
CN1CCc2c(c3cc(CO)ccc3n2CC(O)c2ccncc2)C1Molecular Processing
Molecular formula
C20H23N3O2
Molecular weight
337.42
Exact mass
337.179
XLogP
2.25
TPSA
61.52
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
97.1
Supplementary Information
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