SMILES:
Cn1c(-c2cncc(CN3C(=O)c4ccccc4C3=O)c2)cc2ccc(Cl)cc21Molecular Processing
Molecular formula
C23H16ClN3O2
Molecular weight
401.85
Exact mass
401.0931
XLogP
4.69
TPSA
55.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.087
Molar refractivity
111.81
Supplementary Information
Details werden geladen…
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