SMILES:
CCCCn1c(=O)cc(Cl)n(Cc2ccc(-c3ccccc3-c3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1=OMolecular Processing
Molecular formula
C41H35ClN6O2
Molecular weight
679.22
Exact mass
678.251
XLogP
7.67
TPSA
87.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
11
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
197.28
Supplementary Information
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