SMILES:
Cc1nc2ncnn2c(N)c1C#CC(OCC(=O)O)C1CCCC1Molecular Processing
Molecular formula
C16H19N5O3
Molecular weight
329.36
Exact mass
329.1488
XLogP
1.03
TPSA
115.63
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
86.14
Supplementary Information
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