SMILES:
COc1ccc(-c2nnc(CC(=O)O)n2-c2ccccc2)cc1Molecular Processing
Molecular formula
C17H15N3O3
Molecular weight
309.32
Exact mass
309.1113
XLogP
2.57
TPSA
77.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
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
0.118
Molar refractivity
84.69
Supplementary Information
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