SMILES:
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#CC1CC1Molecular Processing
Molecular formula
C19H22N4O2
Molecular weight
338.41
Exact mass
338.1743
XLogP
3.33
TPSA
96.28
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
97.62
Supplementary Information
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