O=C(Nc1cccc(-n2c(=O)c(Cn3ccnc3-c3ccccc3)nc3cccnc32)c1)c1cc(Cl)cc(Cl)c1
SMILES: O=C(Nc1cccc(-n2c(=O)c(Cn3ccnc3-c3ccccc3)nc3cccnc32)c1)c1cc(Cl)cc(Cl)c1

Molecular Processing

Molecular formula
C30H20Cl2N6O2
Molecular weight
567.44
Exact mass
566.1025
XLogP
6.25
TPSA
94.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
40
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.033
Molar refractivity
156.32

Supplementary Information

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