SMILES:
COc1c(NC2CCC3(CC2)OCC(C)(C)CO3)ccnc1CMolecular Processing
Molecular formula
C18H28N2O3
Molecular weight
320.43
Exact mass
320.21
XLogP
3.52
TPSA
52.61
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.722
Molar refractivity
89.82
Supplementary Information
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