SMILES:
Clc1ccccc1-c1nc2c(Cl)cccc2nc1CNc1ncnc2[nH]cnc12Molecular Processing
Molecular formula
C20H13Cl2N7
Molecular weight
422.28
Exact mass
421.0609
XLogP
4.88
TPSA
92.27
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
114
Supplementary Information
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