SMILES:
O=C1Nc2cccc(-c3cncnc3)c2C12COc1cc3c(cc12)OCO3Molecular Processing
Molecular formula
C20H13N3O4
Molecular weight
359.34
Exact mass
359.0906
XLogP
2.5
TPSA
82.57
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
27
Rings
6
Aromatic rings
3
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
94.94
Supplementary Information
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