SMILES:
OCCCOc1ccc2c(O)ncnc2c1Molecular Processing
Molecular formula
C11H12N2O3
Molecular weight
220.23
Exact mass
220.0848
XLogP
1.1
TPSA
75.47
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
58.4
Supplementary Information
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