SMILES:
c1ccc2c(c1)CC(Nc1ncnc3nc[nH]c13)C2Molecular Processing
Molecular formula
C14H13N5
Molecular weight
251.29
Exact mass
251.1171
XLogP
1.93
TPSA
66.49
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
72.94
Supplementary Information
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