SMILES:
CCOC(=O)c1c(C)nn(-c2cccc(N)c2)c1CMolecular Processing
Molecular formula
C14H17N3O2
Molecular weight
259.31
Exact mass
259.1321
XLogP
2.25
TPSA
70.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
73.41
Supplementary Information
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