Clc1cnc2nc1Nc1cccc(c1)OCCc1cc(cc(-c3ccnc(N4CCNCC4)c3)c1)N2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
SMILES: Clc1cnc2nc1Nc1cccc(c1)OCCc1cc(cc(-c3ccnc(N4CCNCC4)c3)c1)N2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

Molecular Processing

Molecular formula
C33H29ClF9N7O7
Molecular weight
842.07
Exact mass
841.1673
XLogP
6.92
TPSA
199.13
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
2
Heavy atoms
57
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
24
Covalent units
4
Fraction Csp3
0.273
Molar refractivity
185.08

Supplementary Information

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