CCCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
SMILES: CCCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O

Molecular Processing

Molecular formula
C26H36N4O9
Molecular weight
548.59
Exact mass
548.2482
XLogP
2.03
TPSA
182.73
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
39
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
3
Fraction Csp3
0.423
Molar refractivity
143.99

Supplementary Information

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