CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1
SMILES: CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2cc(CCC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1

Molecular Processing

Molecular formula
C36H34ClF3N4O4S
Molecular weight
711.21
Exact mass
710.1941
XLogP
7.84
TPSA
103.06
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
49
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
182.52

Supplementary Information

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