Nombre: Compound 21
SMILES:
Cc1ccc2c(c1)c(Cl)c(C#N)c(=O)n2Cc1ccccc1Molecular Processing
Molecular formula
C18H13ClN2O
Molecular weight
308.77
Exact mass
308.0716
XLogP
3.88
TPSA
45.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
88.21
Supplementary Information
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