SMILES:
CC(Nc1ncnc2cc(C(=O)N3CC=CCC3)c(Cl)cc12)c1nc2cc(Cl)ccc2[nH]1Molecular Processing
Molecular formula
C23H20Cl2N6O
Molecular weight
467.36
Exact mass
466.1076
XLogP
5.39
TPSA
86.8
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
127.35
Supplementary Information
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