SMILES:
CCn1ncc2c(O)c(CCc3ccccc3)c(C(=O)O)nc21Molecular Processing
Molecular formula
C17H17N3O3
Molecular weight
311.34
Exact mass
311.127
XLogP
2.64
TPSA
88.24
H-bond donors
2
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
0.235
Molar refractivity
85.68
Supplementary Information
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