SMILES:
COc1cc(-c2nnn3c2CCCC3(C)c2ccc(Cl)c(Cl)c2)ccc1-n1cnc(C)n1Molecular Processing
Molecular formula
C23H22Cl2N6O
Molecular weight
469.38
Exact mass
468.1232
XLogP
5.25
TPSA
70.65
H-bond donors
0
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
0.304
Molar refractivity
123.81
Supplementary Information
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