SMILES:
Cc1cccc(C)c1-n1cc(C#N)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C13H11N3O2
Molecular weight
241.25
Exact mass
241.0851
XLogP
1.01
TPSA
78.65
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
66.85
Supplementary Information
Details werden geladen…
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