SMILES:
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC#N)cc(OCC#N)c12Molecular Processing
Molecular formula
C21H16N2O4
Molecular weight
360.37
Exact mass
360.111
XLogP
3.5
TPSA
96.25
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
98.69
Supplementary Information
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