SMILES:
CCc1nc2c(-c3ccc(Cl)cc3Cl)ncnc2n1C(c1cc(C)no1)C1CC1Molecular Processing
Molecular formula
C21H19Cl2N5O
Molecular weight
428.32
Exact mass
427.0967
XLogP
5.66
TPSA
69.63
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
112.26
Supplementary Information
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