SMILES:
COc1ccc2[nH]nc(-c3nc4cc(C)c(C)cc4[nH]3)c2c1Molecular Processing
Molecular formula
C17H16N4O
Molecular weight
292.34
Exact mass
292.1324
XLogP
3.73
TPSA
66.59
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
87.21
Supplementary Information
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