SMILES:
COc1ccccc1Nc1ncnc2cc(N)ncc12Molecular Processing
Molecular formula
C14H13N5O
Molecular weight
267.29
Exact mass
267.112
XLogP
2.36
TPSA
85.95
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
78.02
Supplementary Information
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