COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)OCC=C2.O=C(O)/C=C\C(=O)O
SMILES: COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)OCC=C2.O=C(O)/C=C\C(=O)O

Molecular Processing

Molecular formula
C20H22N4O7
Molecular weight
430.42
Exact mass
430.1488
XLogP
1.37
TPSA
180.11
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.2
Molar refractivity
112.15

Supplementary Information

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