SMILES:
CC(C)(C)OC(=O)N1CC=C(c2ccc(N)nc2)C1Molecular Processing
Molecular formula
C14H19N3O2
Molecular weight
261.33
Exact mass
261.1477
XLogP
2.3
TPSA
68.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
74.43
Supplementary Information
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