SMILES:
O=C1N(Cc2cnc(O)nc2)c2ccccc2C12COc1cc3c(cc12)OCCO3Molecular Processing
Molecular formula
C22H17N3O5
Molecular weight
403.39
Exact mass
403.1168
XLogP
2.18
TPSA
94.01
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
30
Rings
6
Aromatic rings
3
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
105.04
Supplementary Information
Obteniendo detalles…
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