SMILES:
CC(Nc1ncnc2cc(C(=O)N3CCCC3Cc3ccccc3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1Molecular Processing
Molecular formula
C29H26Cl2N6O
Molecular weight
545.47
Exact mass
544.1545
XLogP
6.83
TPSA
86.8
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
38
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.241
Molar refractivity
151.89
Supplementary Information
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