SMILES:
Clc1ccccc1-c1nc2c(Cl)cccc2cc1CNc1ncnc2[nH]cnc12Molecular Processing
Molecular formula
C21H14Cl2N6
Molecular weight
421.29
Exact mass
420.0657
XLogP
5.49
TPSA
79.38
H-bond donors
2
H-bond acceptors
5
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
8
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
116.21
Supplementary Information
Details werden geladen…
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