CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
SMILES: CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

Molecular Processing

Molecular formula
C41H35ClN6O2
Molecular weight
679.22
Exact mass
678.251
XLogP
8.79
TPSA
98.72
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
50
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.146
Molar refractivity
195.21

Supplementary Information

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