Cc1nnc(CNC(=O)CN=[N+]=[N-])n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl
SMILES: Cc1nnc(CNC(=O)CN=[N+]=[N-])n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl

Molecular Processing

Molecular formula
C19H15Cl2N7O2
Molecular weight
444.28
Exact mass
443.0664
XLogP
4.04
TPSA
125.64
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
111.85

Supplementary Information

Details werden geladen…

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