SMILES:
CC(C)(C)[C@H]1CC[C@H](Oc2ccc3nc([C@@](C)(N)CO)ncc3c2)CC1Molecular Processing
Molecular formula
C21H31N3O2
Molecular weight
357.5
Exact mass
357.2416
XLogP
3.78
TPSA
81.26
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
103.99
Supplementary Information
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