SMILES:
CCC(OCC1CC1)c1ccc2c(n1)N1[C@@H](CNC[C@H]1C)C2Molecular Processing
Molecular formula
C18H27N3O
Molecular weight
301.43
Exact mass
301.2154
XLogP
2.68
TPSA
37.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.722
Molar refractivity
88.25
Supplementary Information
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