SMILES:
COc1cc(C(O)C#Cc2c(C)nc(N)nc2N)cc(OC)c1OCMolecular Processing
Molecular formula
C17H20N4O4
Molecular weight
344.37
Exact mass
344.1485
XLogP
1.06
TPSA
125.74
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
93.53
Supplementary Information
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