SMILES:
CC(C)(C)OC(=O)NC1CCN(Cc2coc(C#N)c2)C1=OMolecular Processing
Molecular formula
C15H19N3O4
Molecular weight
305.33
Exact mass
305.1376
XLogP
1.78
TPSA
95.57
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
76.61
Supplementary Information
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