SMILES:
O=c1[nH]c(-c2ccc(Cl)cc2Cl)cc2nc(C3CCN(C4CC4)CC3)nn12Molecular Processing
Molecular formula
C19H19Cl2N5O
Molecular weight
404.3
Exact mass
403.0967
XLogP
3.73
TPSA
66.29
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
105.63
Supplementary Information
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