SMILES:
Cn1c(-c2cncc(C=O)c2)c(C#N)c2ccc(Cl)cc21Molecular Processing
Molecular formula
C16H10ClN3O
Molecular weight
295.73
Exact mass
295.0512
XLogP
3.58
TPSA
58.68
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
81.26
Supplementary Information
Details werden geladen…
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